smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(NC(=O)CSc2noc(Cc3ccccc3)n2)cc1 ZINC000028527366 861423753 /nfs/dbraw/zinc/42/37/53/861423753.db2.gz VGHGWPGWECZJDA-UHFFFAOYSA-N 0 0 397.456 3.568 40 0 GHABRN CCN(CC)C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 ZINC000004500512 856374864 /nfs/dbraw/zinc/37/48/64/856374864.db2.gz XNGKUQGVHQJCTK-UHFFFAOYSA-N 0 0 398.507 3.958 40 0 GHABRN Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000005292348 856375266 /nfs/dbraw/zinc/37/52/66/856375266.db2.gz ABDRWKNBBUOGCM-SFHVURJKSA-N 0 0 392.908 3.749 40 0 GHABRN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 ZINC000006249508 856377605 /nfs/dbraw/zinc/37/76/05/856377605.db2.gz SFRAPYBAAAHNSS-UHFFFAOYSA-N 0 0 382.489 3.932 40 0 GHABRN CCCCCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000006320212 856378173 /nfs/dbraw/zinc/37/81/73/856378173.db2.gz XZNCLULIWZPMOA-UHFFFAOYSA-N 0 0 394.924 3.842 40 0 GHABRN Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(C=O)cc3)n2)cc1 ZINC000006407880 856379948 /nfs/dbraw/zinc/37/99/48/856379948.db2.gz AHMFHNSCWDBHMB-UHFFFAOYSA-N 0 0 380.425 3.727 40 0 GHABRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(Cl)c1OC ZINC000006672616 856383685 /nfs/dbraw/zinc/38/36/85/856383685.db2.gz OGFRFIHRFNTSAE-CAOOACKPSA-N 0 0 380.744 3.620 40 0 GHABRN CCC[C@H](C)NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 ZINC000006946286 856386231 /nfs/dbraw/zinc/38/62/31/856386231.db2.gz FAIPPUGOJSJWKJ-SFHVURJKSA-N 0 0 388.533 3.804 40 0 GHABRN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1 ZINC000007881416 856395070 /nfs/dbraw/zinc/39/50/70/856395070.db2.gz KKXVDAMNERIHGF-PKOBYXMFSA-N 0 0 379.456 3.779 40 0 GHABRN CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 ZINC000007882053 856395525 /nfs/dbraw/zinc/39/55/25/856395525.db2.gz XTPCWXLMBBNVDS-VQIMIIECSA-N 0 0 394.471 3.800 40 0 GHABRN COc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2)cc1 ZINC000007939777 856397136 /nfs/dbraw/zinc/39/71/36/856397136.db2.gz XOEOYGIBHVBBDU-UHFFFAOYSA-N 0 0 389.407 3.722 40 0 GHABRN C[C@@H](NC(=O)COC(=O)c1ccc(-c2ccc(C=O)o2)cc1)c1ccccc1 ZINC000008265944 856401210 /nfs/dbraw/zinc/40/12/10/856401210.db2.gz SMKFPWZFNLOPLR-OAHLLOKOSA-N 0 0 377.396 3.793 40 0 GHABRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1C ZINC000008413832 856402941 /nfs/dbraw/zinc/40/29/41/856402941.db2.gz KYJXKRFUQOGDFG-UHFFFAOYSA-N 0 0 388.851 3.857 40 0 GHABRN Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)c(C)c1 ZINC000008413734 856402995 /nfs/dbraw/zinc/40/29/95/856402995.db2.gz FPUFYOBVWOLWPI-UHFFFAOYSA-N 0 0 388.851 3.857 40 0 GHABRN Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)c(C)c1 ZINC000008414530 856403396 /nfs/dbraw/zinc/40/33/96/856403396.db2.gz YUXFOUNNZFXTGJ-UHFFFAOYSA-N 0 0 382.460 3.821 40 0 GHABRN C/C=C/C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 ZINC000009062307 856409151 /nfs/dbraw/zinc/40/91/51/856409151.db2.gz QZYDGUIXPCDDLB-ONEGZZNKSA-N 0 0 394.456 3.981 40 0 GHABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1cccnc1)N2 ZINC000010041449 856410990 /nfs/dbraw/zinc/41/09/90/856410990.db2.gz OKYPQKTUWXSONL-HBUWYVDXSA-N 0 0 383.414 3.997 40 0 GHABRN CC[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(C)cc1 ZINC000010326414 856416722 /nfs/dbraw/zinc/41/67/22/856416722.db2.gz WRXDAGPLLIHEGH-HOTGVXAUSA-N 0 0 386.517 3.663 40 0 GHABRN O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc(Cl)c1 ZINC000016959470 856420288 /nfs/dbraw/zinc/42/02/88/856420288.db2.gz AGPZQCBEIDWMPB-UHFFFAOYSA-N 0 0 392.908 3.696 40 0 GHABRN CC(=O)N1CCC[C@]1(Cc1cc(-c2ccccc2)no1)C(=O)NC1CCCCC1 ZINC000019696471 856423650 /nfs/dbraw/zinc/42/36/50/856423650.db2.gz ICIVIXOUFLOCGC-QHCPKHFHSA-N 0 0 395.503 3.714 40 0 GHABRN CS(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1ccccc1F ZINC000019855792 856429421 /nfs/dbraw/zinc/42/94/21/856429421.db2.gz ACSLBOAHRJPKDI-UHFFFAOYSA-N 0 0 391.251 3.537 40 0 GHABRN C[C@H]1Cc2cc(S(=O)(=O)NC3CCCCC3)ccc2N1C(=O)c1ccccc1 ZINC000028206766 856437179 /nfs/dbraw/zinc/43/71/79/856437179.db2.gz MCOJRMZWFIGUTK-INIZCTEOSA-N 0 0 398.528 3.889 40 0 GHABRN Cc1ccc(N([C@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1C ZINC000033559749 856438027 /nfs/dbraw/zinc/43/80/27/856438027.db2.gz UKNHZQBRYCSAII-CQSZACIVSA-N 0 0 380.897 3.750 40 0 GHABRN COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000033685506 856438522 /nfs/dbraw/zinc/43/85/22/856438522.db2.gz WQSZSPGJQBPXNO-WQRHYEAKSA-N 0 0 396.468 3.987 40 0 GHABRN Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000107432407 856448167 /nfs/dbraw/zinc/44/81/67/856448167.db2.gz FCPLEFKLJFCYII-UHFFFAOYSA-N 0 0 380.513 3.968 40 0 GHABRN COc1ccc(Br)cc1C=Cc1cc(C(F)(F)F)nc(=O)[nH]1 ZINC000165432326 856454294 /nfs/dbraw/zinc/45/42/94/856454294.db2.gz NWOADZYBQNDQFF-DUXPYHPUSA-N 0 0 375.144 3.730 40 0 GHABRN COc1cc(/C=C/C(=O)Nc2ccc(O)cc2)cc(Br)c1OC ZINC000062714918 856819943 /nfs/dbraw/zinc/81/99/43/856819943.db2.gz RARHTBYVLSBYBU-FPYGCLRLSA-N 0 0 378.222 3.824 40 0 GHABRN O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1Sc1ccccc1 ZINC000009184239 857540342 /nfs/dbraw/zinc/54/03/42/857540342.db2.gz RZMQOSLRWYACBH-JENIJYKNSA-N 0 0 395.528 3.566 40 0 GHABRN Cc1ccc(-c2nc3ccccc3c(=O)n2CS(=O)(=O)c2ccccc2)cc1 ZINC000000844690 859675443 /nfs/dbraw/zinc/67/54/43/859675443.db2.gz PNPSMTVRSFXWFW-UHFFFAOYSA-N 0 0 390.464 3.803 40 0 GHABRN C[C@@H](OC(=O)Cc1ccc(Br)cc1)C(=O)N[C@H]1CCCC[C@H]1C ZINC000012933077 859681181 /nfs/dbraw/zinc/68/11/81/859681181.db2.gz KNVGPEZGPPDQEJ-IOASZLSFSA-N 0 0 382.298 3.618 40 0 GHABRN CCSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1ccc(O)c(Cl)c1 ZINC000261363677 859910407 /nfs/dbraw/zinc/91/04/07/859910407.db2.gz VRLQQVDEJTXOQX-MRXNPFEDSA-O 0 0 387.872 3.580 40 0 GHABRN Cc1ccc2c(n1)N(C)[C@H](c1ccc(NC(=O)[C@@H]3CC=CCC3)cc1)NC2=O ZINC000248329192 870327437 /nfs/dbraw/zinc/32/74/37/870327437.db2.gz CWCAFZPUQVBSMP-VQIMIIECSA-N 0 0 376.460 3.563 40 0 GHABRN C[C@@H]1C[C@@H](C)CN(C(=O)NCCCCCCNC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000254590855 872452038 /nfs/dbraw/zinc/45/20/38/872452038.db2.gz ZGNMFAMKAOVBEO-UAFMIMERSA-N 0 0 394.604 3.922 40 0 GHABRN CN1CCOc2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc2C1=O ZINC000009828066 877965269 /nfs/dbraw/zinc/96/52/69/877965269.db2.gz SBEUQSLZOMGGEM-UHFFFAOYSA-N 0 0 386.451 3.999 40 0 GHABRN COc1ccc([C@H](O)CN2CCc3c4ccccc4[nH]c3[C@H]2C)cc1NC(C)=O ZINC000247900402 880083117 /nfs/dbraw/zinc/08/31/17/880083117.db2.gz ALVSYFSJMSIEOA-SPLOXXLWSA-N 0 0 393.487 3.788 40 0 GHABRN Cc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000028943312 230915505 /nfs/dbraw/zinc/91/55/05/230915505.db2.gz LTQAPRUWNHUZTQ-UHFFFAOYSA-N 0 0 398.459 3.968 40 0 GHABRN Cc1cc(C)cc(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)c1 ZINC000044792043 230932601 /nfs/dbraw/zinc/93/26/01/230932601.db2.gz SEEZYUFSYYQRSM-UHFFFAOYSA-N 0 0 395.484 3.532 40 0 GHABRN CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1cccnc1 ZINC000222867293 222617503 /nfs/dbraw/zinc/61/75/03/222617503.db2.gz NOWNNDMLGDNUTC-VQTJNVASSA-N 0 0 377.517 3.958 40 0 GHABRN Cc1cccc(C)c1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000113941667 231023723 /nfs/dbraw/zinc/02/37/23/231023723.db2.gz XWBIDBQFVFJPNJ-CQSZACIVSA-N 0 0 380.897 3.750 40 0 GHABRN Cc1ccc(N([C@H](C)C(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000408546184 231056396 /nfs/dbraw/zinc/05/63/96/231056396.db2.gz RFUQHQZCZNIESX-CQSZACIVSA-N 0 0 380.897 3.750 40 0 GHABRN O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1nnc(-c2ccccc2)s1 ZINC000408533802 231052520 /nfs/dbraw/zinc/05/25/20/231052520.db2.gz QUECFGNCBQQKJX-UHFFFAOYSA-N 0 0 395.469 3.585 40 0 GHABRN CSc1ccccc1C(=O)N1CC[NH+]([C@H](CCC(=O)[O-])c2ccccc2)CC1 ZINC000408613623 231080695 /nfs/dbraw/zinc/08/06/95/231080695.db2.gz YXSWQTNUCCKUDM-LJQANCHMSA-N 0 0 398.528 3.772 40 0 GHABRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)N1CCCC1 ZINC000408559649 231060988 /nfs/dbraw/zinc/06/09/88/231060988.db2.gz AOSPZICMCPDZSA-UHFFFAOYSA-N 0 0 379.869 3.769 40 0 GHABRN O=C([O-])CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000408613566 231079417 /nfs/dbraw/zinc/07/94/17/231079417.db2.gz YDEDFQSWZXMGNV-IBGZPJMESA-N 0 0 386.879 3.704 40 0 GHABRN Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000408649902 231091429 /nfs/dbraw/zinc/09/14/29/231091429.db2.gz LTSXCSVTDFHRQK-GOEBONIOSA-N 0 0 385.847 3.816 40 0 GHABRN COc1ccc(/C=C2\SC(Nc3cc(C)ccc3OC)NC2=O)c(OC)c1 ZINC000408804058 231116205 /nfs/dbraw/zinc/11/62/05/231116205.db2.gz VJOHBGWHJPGPEJ-UHFFFAOYSA-N 0 0 385.465 3.784 40 0 GHABRN Cc1ccc(OCc2nn(CC(=O)N[C@H]3CCCC[C@@H]3C)c(=S)o2)cc1 ZINC000409157482 231173029 /nfs/dbraw/zinc/17/30/29/231173029.db2.gz MUJRLRCCPVUUFF-HOCLYGCPSA-N 0 0 375.494 3.788 40 0 GHABRN Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)cc3)C2=O)c(C)c1 ZINC000409373254 231196745 /nfs/dbraw/zinc/19/67/45/231196745.db2.gz GEOFHQZHXVORFM-LICLKQGHSA-N 0 0 396.468 3.992 40 0 GHABRN O=Cc1ccc(C(=O)OCC(=O)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000409179349 231175678 /nfs/dbraw/zinc/17/56/78/231175678.db2.gz QPCPCINVLCMTEU-UHFFFAOYSA-N 0 0 396.624 3.711 40 0 GHABRN Cc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2F)C1=O ZINC000409302357 231189263 /nfs/dbraw/zinc/18/92/63/231189263.db2.gz IIZUDJJPSDPQNW-LZYBPNLTSA-N 0 0 388.395 3.948 40 0 GHABRN COc1cccc(N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O)c1 ZINC000224690552 222661027 /nfs/dbraw/zinc/66/10/27/222661027.db2.gz UEIDTFHBKASQAT-UHFFFAOYSA-N 0 0 398.569 3.572 40 0 GHABRN CCOC(=O)c1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 ZINC000225288721 222673136 /nfs/dbraw/zinc/67/31/36/222673136.db2.gz GPBKWSPLQQMGOX-UHFFFAOYSA-N 0 0 377.444 3.977 40 0 GHABRN Cc1cc(OS(=O)(=O)c2cccc3cccnc32)n(-c2ccc(C)cc2)n1 ZINC000011691560 203752839 /nfs/dbraw/zinc/75/28/39/203752839.db2.gz CKJDXGFAFPFMTO-UHFFFAOYSA-N 0 0 379.441 3.805 40 0 GHABRN COC(=O)C[C@@H](c1ccc(OC)cc1)[C@@H](CC(=O)OC)c1ccc(OC)cc1 ZINC000001597038 203914907 /nfs/dbraw/zinc/91/49/07/203914907.db2.gz IGCAIHLXNHWPFM-PMACEKPBSA-N 0 0 386.444 3.697 40 0 GHABRN COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2N)cc1 ZINC000003406286 204004108 /nfs/dbraw/zinc/00/41/08/204004108.db2.gz NMEBFXQWSGHTSD-UHFFFAOYSA-N 0 0 397.504 3.522 40 0 GHABRN O=C(COc1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)c1ccc(F)cc1 ZINC000004145793 204028612 /nfs/dbraw/zinc/02/86/12/204028612.db2.gz XSVNMJMGBSKCFP-RWFYYTQISA-N 0 0 393.414 3.623 40 0 GHABRN CCCCn1c(C(=O)OC)cc(=O)c2c(C)n(-c3ccccc3)c(=S)nc21 ZINC000004575158 204054122 /nfs/dbraw/zinc/05/41/22/204054122.db2.gz KYYQMKLODQAOLJ-UHFFFAOYSA-N 0 0 383.473 3.812 40 0 GHABRN O=C(COc1ccc(I)cc1)N1CCCc2ccccc21 ZINC000005050547 204106909 /nfs/dbraw/zinc/10/69/09/204106909.db2.gz MNVLQQDRKZCRPK-UHFFFAOYSA-N 0 0 393.224 3.649 40 0 GHABRN CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(Br)cc1C ZINC000005872437 204154888 /nfs/dbraw/zinc/15/48/88/204154888.db2.gz OHZUYDKQOHVESZ-UHFFFAOYSA-N 0 0 392.249 3.986 40 0 GHABRN CCOc1cccc(C(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2)c1 ZINC000005980546 204159942 /nfs/dbraw/zinc/15/99/42/204159942.db2.gz RMKFRXBUULEGMM-UHFFFAOYSA-N 0 0 379.445 3.812 40 0 GHABRN CCN(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000006205050 204170265 /nfs/dbraw/zinc/17/02/65/204170265.db2.gz NRXCZOHWFDFJSQ-UHFFFAOYSA-N 0 0 387.288 3.643 40 0 GHABRN COc1cc2cc3c(N)c(C(=O)N4CCC(C)CC4)sc3nc2cc1OC ZINC000035314042 204166859 /nfs/dbraw/zinc/16/68/59/204166859.db2.gz MESBSJYSNBYJLX-UHFFFAOYSA-N 0 0 385.489 3.921 40 0 GHABRN CCC(=O)Oc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC(=O)CC ZINC000005417059 204131274 /nfs/dbraw/zinc/13/12/74/204131274.db2.gz JFQZNSCTXDKJBA-VBKFSLOCSA-N 0 0 393.395 3.662 40 0 GHABRN CSc1cccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 ZINC000005439557 204132031 /nfs/dbraw/zinc/13/20/31/204132031.db2.gz JDTAWXGIIBNPFU-UHFFFAOYSA-N 0 0 390.530 3.899 40 0 GHABRN Cc1cccc(OCC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c1 ZINC000006860491 204216517 /nfs/dbraw/zinc/21/65/17/204216517.db2.gz CQEQKYXYIPOQHT-UHFFFAOYSA-N 0 0 386.407 3.813 40 0 GHABRN CC(C)c1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC000006263182 204172745 /nfs/dbraw/zinc/17/27/45/204172745.db2.gz WLKKDRXRFGCTER-UHFFFAOYSA-N 0 0 387.530 3.586 40 0 GHABRN 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CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)N(C)C4CCCCC4)cc3)C(=O)[C@@H]2C1 ZINC000408684792 528121581 /nfs/dbraw/zinc/12/15/81/528121581.db2.gz PLOIKRPPHXRLNL-VQTJNVASSA-N 0 0 380.488 3.937 40 0 GHABRN CC(C)Oc1ccc(N2C[C@@H](C(=O)NCCCCc3ccccc3)CC2=O)cc1 ZINC000408706947 528174902 /nfs/dbraw/zinc/17/49/02/528174902.db2.gz FNWRWGXFFOXHRM-FQEVSTJZSA-N 0 0 394.515 3.966 40 0 GHABRN CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCCCC3)c2)CC1 ZINC000408701757 528260370 /nfs/dbraw/zinc/26/03/70/528260370.db2.gz FHXBHQVVUPVFJN-UHFFFAOYSA-N 0 0 398.956 3.777 40 0 GHABRN CCOc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1NC(=O)CC ZINC000408697047 528588647 /nfs/dbraw/zinc/58/86/47/528588647.db2.gz GMRKVOGYQQSBEG-UHFFFAOYSA-N 0 0 394.518 3.957 40 0 GHABRN CCOC(=O)C1=NN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@](O)(C(C)(C)C)C1 ZINC000408977313 528619871 /nfs/dbraw/zinc/61/98/71/528619871.db2.gz VHHSTUCRTITFPC-QHCPKHFHSA-N 0 0 394.471 3.853 40 0 GHABRN CCOC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000408585097 529111749 /nfs/dbraw/zinc/11/17/49/529111749.db2.gz CNUWLEJSKUNJGH-HNNXBMFYSA-N 0 0 376.478 3.555 40 0 GHABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(C(=O)OC)ccc1Cl ZINC000408702398 529159654 /nfs/dbraw/zinc/15/96/54/529159654.db2.gz FKHGLKFVZIAWOD-KRWDZBQOSA-N 0 0 377.824 3.931 40 0 GHABRN CC[C@H](C)Oc1c(Br)cc(/C=C2/NC(=O)N(CC)C2=O)cc1OC ZINC000409233654 529186621 /nfs/dbraw/zinc/18/66/21/529186621.db2.gz LQZNPWHQVRKKCA-XNFYSYIQSA-N 0 0 397.269 3.548 40 0 GHABRN CC(=O)Nc1ccc(CN2CCOC[C@H]2c2nc(-c3ccccc3)c[nH]2)cc1 ZINC000067898632 560049749 /nfs/dbraw/zinc/04/97/49/560049749.db2.gz JCHJKIZLJIJYQH-NRFANRHFSA-N 0 0 376.460 3.609 40 0 biogenic,in-vitro GHABRN Fc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(Cc3ccccc3)no2)cc1 ZINC000015675672 560094920 /nfs/dbraw/zinc/09/49/20/560094920.db2.gz CWEBHIBVAPMEJR-FQEVSTJZSA-N 0 0 389.434 3.822 40 0 biogenic,in-vitro GHABRN O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)N(Cc2c[nH]c3ccccc23)C1 ZINC000015674917 560231302 /nfs/dbraw/zinc/23/13/02/560231302.db2.gz YXEPTTDEBGXXSY-APWZRJJASA-N 0 0 378.407 3.665 40 0 biogenic,in-vitro GHABRN Cc1cccn2cc(C(=O)Nc3nnc([C@@H](C)Oc4ccccc4)s3)nc12 ZINC000019718807 570209962 /nfs/dbraw/zinc/20/99/62/570209962.db2.gz FAHCMZVNDQPEQI-CYBMUJFWSA-N 0 0 379.445 3.887 40 0 GHABRN CCn1ncc(-c2cc(C(=O)NCc3cccc(N4CCCCC4)c3)on2)c1C ZINC000019719060 570210157 /nfs/dbraw/zinc/21/01/57/570210157.db2.gz SXBHOWJJDHGEQM-UHFFFAOYSA-N 0 0 393.491 3.787 40 0 GHABRN CCNc1nc(Nc2ccc(C)cc2Br)cc(-c2cccnc2)n1 ZINC000328993812 570211100 /nfs/dbraw/zinc/21/11/00/570211100.db2.gz JCMFKKGNEQNOOJ-UHFFFAOYSA-N 0 0 384.281 3.629 40 0 GHABRN COc1cccc(CNc2cc(-c3cccnc3)nc(NC3CCCCC3)n2)c1 ZINC000328993822 570211154 /nfs/dbraw/zinc/21/11/54/570211154.db2.gz JCQVLTNUSHMHPM-UHFFFAOYSA-N 0 0 389.503 3.748 40 0 GHABRN C[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccncc2)n1 ZINC000329018407 570212457 /nfs/dbraw/zinc/21/24/57/570212457.db2.gz NRURHSFYSGXNOB-GFCCVEGCSA-N 0 0 389.381 3.516 40 0 GHABRN COc1ccccc1Nc1cc(-c2cccnc2)nc(NC2CCCCC2)n1 ZINC000329034857 570214078 /nfs/dbraw/zinc/21/40/78/570214078.db2.gz RBHJYKNFEPZQCO-UHFFFAOYSA-N 0 0 375.476 3.879 40 0 GHABRN Cn1cc(-c2cnc(-c3ccccc3)nc2)cc1C(=O)NCCc1ccncc1 ZINC000096147621 570214127 /nfs/dbraw/zinc/21/41/27/570214127.db2.gz YGVATEWPVSRXDG-UHFFFAOYSA-N 0 0 383.455 3.517 40 0 GHABRN Cc1nc2cc(NC(=O)CC3CCN(c4nc(C)cc(C)n4)CC3)ccc2[nH]1 ZINC000019748633 570214342 /nfs/dbraw/zinc/21/43/42/570214342.db2.gz DASNEXWOFCGTSA-UHFFFAOYSA-N 0 0 378.480 3.523 40 0 GHABRN C[C@@H](CO)Nc1nc(Nc2cc(Cl)cc(Cl)c2)cc(-c2ccccc2)n1 ZINC000329065621 570215997 /nfs/dbraw/zinc/21/59/97/570215997.db2.gz XSOWDVMQTKKCHB-LBPRGKRZSA-N 0 0 389.286 3.831 40 0 GHABRN OCCCNc1nc(Nc2cccc(C(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000329068055 570216465 /nfs/dbraw/zinc/21/64/65/570216465.db2.gz YNNFXOCKJYWPGZ-UHFFFAOYSA-N 0 0 388.393 3.544 40 0 GHABRN Cc1ccc(N2C[C@]3(CCN(C(=O)c4ccc5ccccc5n4)C3)CC2=O)cc1 ZINC000096238462 570221812 /nfs/dbraw/zinc/22/18/12/570221812.db2.gz ZYJIQCXHLLTIDQ-XMMPIXPASA-N 0 0 385.467 3.812 40 0 GHABRN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(=O)N3CCCC3)CC2)c2ccccc21 ZINC000096241971 570222349 /nfs/dbraw/zinc/22/23/49/570222349.db2.gz CUSGSXYVUCTTFY-GOSISDBHSA-N 0 0 383.536 3.638 40 0 GHABRN Cc1ccoc1C(=O)N1CCC2(C[C@@H](CC(=O)NC3CC3)c3ccccc32)CC1 ZINC000096242298 570222652 /nfs/dbraw/zinc/22/26/52/570222652.db2.gz IWYOXPJGRCJEQI-QGZVFWFLSA-N 0 0 392.499 3.918 40 0 GHABRN CC(C)CC(=O)N1CCC2(C[C@@H](CC(=O)NCC3CC3)c3ccccc32)CC1 ZINC000096241998 570222714 /nfs/dbraw/zinc/22/27/14/570222714.db2.gz OIABWYVKMKHGGB-LJQANCHMSA-N 0 0 382.548 3.997 40 0 GHABRN O=C(C[C@H]1CC2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21)NC1CCC1 ZINC000096242138 570222946 /nfs/dbraw/zinc/22/29/46/570222946.db2.gz MRQNOZOBSSDFNU-SFHVURJKSA-N 0 0 392.499 4.000 40 0 GHABRN CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)NC3CCCC3)CC2)Oc2ccccc21 ZINC000096242937 570223222 /nfs/dbraw/zinc/22/32/22/570223222.db2.gz DVNWVEAYDXETRJ-QGZVFWFLSA-N 0 0 399.535 3.518 40 0 GHABRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)C3CCC3)CC2)Oc2ccccc21 ZINC000096243096 570223313 /nfs/dbraw/zinc/22/33/13/570223313.db2.gz KNKYFVSBYTUGJL-SFHVURJKSA-N 0 0 384.520 3.629 40 0 GHABRN CC(=O)c1cccc(NC(=O)CSc2nnc3c(n2)[C@]2(C)CC[C@H]3C2(C)C)c1 ZINC000000886779 570228362 /nfs/dbraw/zinc/22/83/62/570228362.db2.gz WUSGXUBAWGNOOR-VFNWGFHPSA-N 0 0 396.516 3.980 40 0 GHABRN COc1ccc(Cc2nnc(SCC(=O)c3ccc(C)cc3)o2)cc1OC ZINC000019928643 570230579 /nfs/dbraw/zinc/23/05/79/570230579.db2.gz ZIAYEXBPAKHCIN-UHFFFAOYSA-N 0 0 384.457 3.961 40 0 GHABRN Cc1cc(C)cc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)c1 ZINC000019932375 570231113 /nfs/dbraw/zinc/23/11/13/570231113.db2.gz LPEKIGMHVREDLM-UHFFFAOYSA-N 0 0 386.517 3.871 40 0 GHABRN O=C(Nc1ccc(Cl)cc1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000019935603 570231562 /nfs/dbraw/zinc/23/15/62/570231562.db2.gz LSKCVEQTYDOSNL-UHFFFAOYSA-N 0 0 382.844 3.516 40 0 GHABRN CCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000020062842 570238511 /nfs/dbraw/zinc/23/85/11/570238511.db2.gz MBGCEQCJEKSQOE-UHFFFAOYSA-N 0 0 392.546 3.764 40 0 GHABRN Cc1cccc(Nc2cc(C3CCN(C(=O)C=Cc4c[nH]cn4)CC3)ccn2)n1 ZINC000585290602 570258943 /nfs/dbraw/zinc/25/89/43/570258943.db2.gz DGDCEWSYUGJUEP-AATRIKPKSA-N 0 0 388.475 3.671 40 0 GHABRN O=S1(=O)[C@H](C(O)(c2ccccc2)c2ccccc2)CCCN1c1ccccc1 ZINC000001562842 570265003 /nfs/dbraw/zinc/26/50/03/570265003.db2.gz QCDCWPKYHIJQLR-QFIPXVFZSA-N 0 0 393.508 3.921 40 0 GHABRN CCn1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)cn1 ZINC000100156257 570267789 /nfs/dbraw/zinc/26/77/89/570267789.db2.gz SKNPZOZEAXHVGO-OKILXGFUSA-N 0 0 385.493 3.718 40 0 GHABRN O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccccc1F ZINC000020611476 570272030 /nfs/dbraw/zinc/27/20/30/570272030.db2.gz GXQVXSIVWFGFRE-UHFFFAOYSA-N 0 0 379.229 3.677 40 0 GHABRN O=C1[C@H]2[C@H](ON(c3ccc(Cl)cc3)[C@@H]2c2ccco2)C(=O)N1c1ccccc1 ZINC000100563670 570273251 /nfs/dbraw/zinc/27/32/51/570273251.db2.gz CWZHOIMVEOWUSX-QRVBRYPASA-N 0 0 394.814 3.984 40 0 GHABRN CCCOc1ccc([C@H]2[C@@H](C(=O)OCC)C(=O)Nc3nc4ccccc4n32)cc1 ZINC000020637538 570273824 /nfs/dbraw/zinc/27/38/24/570273824.db2.gz IWKQBOMUVDNOIC-MOPGFXCFSA-N 0 0 393.443 3.546 40 0 GHABRN Cn1cnc(CN2CCC[C@H]2c2csc(NC(=O)c3ccc(F)cc3)n2)c1 ZINC000585295133 570274955 /nfs/dbraw/zinc/27/49/55/570274955.db2.gz MTOCNJYEYGHBHZ-KRWDZBQOSA-N 0 0 385.468 3.605 40 0 GHABRN COc1ccc(-c2c(C)nc3nc(SCc4ccccc4)nn3c2N)cc1 ZINC000020676175 570275095 /nfs/dbraw/zinc/27/50/95/570275095.db2.gz RWVJSQOXDDISOY-UHFFFAOYSA-N 0 0 377.473 3.983 40 0 GHABRN CS(=O)(=O)Cc1ccccc1NC(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000069822766 570275151 /nfs/dbraw/zinc/27/51/51/570275151.db2.gz HVWIPOHZLDZECK-QGZVFWFLSA-N 0 0 378.881 3.694 40 0 GHABRN C[C@H]1C[C@@H]1C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccncc2)CC1 ZINC000100738968 570275697 /nfs/dbraw/zinc/27/56/97/570275697.db2.gz UFYAFKDMWKPDSR-DKKFBQAASA-N 0 0 393.535 3.651 40 0 GHABRN CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 ZINC000100750307 570276659 /nfs/dbraw/zinc/27/66/59/570276659.db2.gz UECIXXDNSDRXRE-FVJLSDCUSA-N 0 0 383.467 3.634 40 0 GHABRN COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000001960705 570297654 /nfs/dbraw/zinc/29/76/54/570297654.db2.gz PHMYNDCJCJRJNF-UHFFFAOYSA-N 0 0 384.215 3.806 40 0 GHABRN Cn1cc(C(=O)Nc2ccccc2Br)c(=O)c2cc(F)ccc21 ZINC000022236261 570309258 /nfs/dbraw/zinc/30/92/58/570309258.db2.gz WEDRKEQRACZEBE-UHFFFAOYSA-N 0 0 375.197 3.692 40 0 GHABRN Cc1cc(C)cc(N(CC(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000022329386 570313575 /nfs/dbraw/zinc/31/35/75/570313575.db2.gz YOZIPQOLEKOFTI-GOSISDBHSA-N 0 0 388.533 3.564 40 0 GHABRN CC(C)c1ccccc1N(CC(=O)Nc1ccccc1Cl)S(C)(=O)=O ZINC000022380028 570314904 /nfs/dbraw/zinc/31/49/04/570314904.db2.gz DVEGMIQCDLMOQR-UHFFFAOYSA-N 0 0 380.897 3.868 40 0 GHABRN N[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Br)cc1 ZINC000072227510 570318905 /nfs/dbraw/zinc/31/89/05/570318905.db2.gz XLAHFWOGFNHAKF-UONOGXRCSA-N 0 0 385.183 3.883 40 0 GHABRN CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C)c1ccccc1 ZINC000113942219 570335325 /nfs/dbraw/zinc/33/53/25/570335325.db2.gz FYESZOFZBOYPSG-HXUWFJFHSA-N 0 0 386.517 3.661 40 0 GHABRN CCOc1ccc(CNC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000218826997 570341789 /nfs/dbraw/zinc/34/17/89/570341789.db2.gz IRVOVHAYJUNISI-UHFFFAOYSA-N 0 0 378.266 3.851 40 0 GHABRN COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(C)cc1 ZINC000408574654 570342377 /nfs/dbraw/zinc/34/23/77/570342377.db2.gz BASBLTUPMPIXQI-INIZCTEOSA-N 0 0 386.517 3.881 40 0 GHABRN Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccccc3-n3ccnc3C)cc2)n1 ZINC000116197134 570344283 /nfs/dbraw/zinc/34/42/83/570344283.db2.gz PPFMRHZSRTZPMA-UHFFFAOYSA-N 0 0 399.498 3.972 40 0 GHABRN CC[C@@H](NC(=O)COc1ccc(Cl)c(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000218941759 570344303 /nfs/dbraw/zinc/34/43/03/570344303.db2.gz VKZFVZMXQICMAM-GOSISDBHSA-N 0 0 395.908 3.698 40 0 GHABRN COc1ccccc1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000006056892 570346121 /nfs/dbraw/zinc/34/61/21/570346121.db2.gz LSALSIKUCOKPNF-LLVKDONJSA-N 0 0 398.242 3.951 40 0 GHABRN Fc1ccc(CN(Cc2ccco2)Cc2nnnn2CCc2ccccc2)cc1 ZINC000057675033 570364858 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ZINC000015273420 560230115 /nfs/dbraw/zinc/23/01/15/560230115.db2.gz QPQHCRKTYXPSQG-LGVHXXEASA-N 0 0 386.400 3.567 40 0 biogenic,in-vitro GHABRN COc1ccc(S(=O)(=O)N(C)CCCn2nc(C)cc2C)cc1C(C)(C)C ZINC000019719907 570210950 /nfs/dbraw/zinc/21/09/50/570210950.db2.gz QMNXXTAZEMVPJH-UHFFFAOYSA-N 0 0 393.553 3.517 40 0 GHABRN Cc1cccc(C)c1Nc1cc(-c2ccccn2)nc(N[C@H](CO)C(C)C)n1 ZINC000329009060 570211876 /nfs/dbraw/zinc/21/18/76/570211876.db2.gz LVGQJVZMVSXAKD-LJQANCHMSA-N 0 0 377.492 3.750 40 0 GHABRN FC(F)(F)c1cc(Nc2ccc3c(c2)OCO3)nc(NC2CCCCC2)n1 ZINC000329026495 570213646 /nfs/dbraw/zinc/21/36/46/570213646.db2.gz PMAMAILTSYONTD-UHFFFAOYSA-N 0 0 380.370 3.556 40 0 GHABRN CC(C)[C@H](CO)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccccc2)n1 ZINC000329026604 570213808 /nfs/dbraw/zinc/21/38/08/570213808.db2.gz PNOIRALYUDZVKH-FQEVSTJZSA-N 0 0 398.457 3.885 40 0 GHABRN COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3OC(C)C)n2)cc1 ZINC000096237062 570221608 /nfs/dbraw/zinc/22/16/08/570221608.db2.gz IBDMSOLNTDDESX-UHFFFAOYSA-N 0 0 381.432 3.805 40 0 GHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 ZINC000096235936 570221753 /nfs/dbraw/zinc/22/17/53/570221753.db2.gz AQQYFNZHLJGZHV-GOSISDBHSA-N 0 0 399.422 3.700 40 0 GHABRN CN(C)C(=O)C[C@H]1CC2(CCN(C(=O)CC3CCCC3)CC2)Oc2ccccc21 ZINC000096242944 570223281 /nfs/dbraw/zinc/22/32/81/570223281.db2.gz PSKOJDDMPYHSEI-IBGZPJMESA-N 0 0 398.547 3.973 40 0 GHABRN Cc1ccccc1N(CC(=O)N[C@H](CC(C)C)c1ccccc1)S(C)(=O)=O ZINC000020038617 570236694 /nfs/dbraw/zinc/23/66/94/570236694.db2.gz AOFAMCSMWMVUAD-LJQANCHMSA-N 0 0 388.533 3.665 40 0 GHABRN COc1ccccc1CN(C)C(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 ZINC000020049754 570237979 /nfs/dbraw/zinc/23/79/79/570237979.db2.gz OPAGCHSLSFQBDK-CQSZACIVSA-N 0 0 375.490 3.852 40 0 GHABRN CC(=O)Nc1ccc(C[NH+]2CCC(O)(COc3cccc(Cl)c3)CC2)cc1 ZINC000585270451 570239444 /nfs/dbraw/zinc/23/94/44/570239444.db2.gz KOBKBWPRQFRSSC-UHFFFAOYSA-N 0 0 388.895 3.704 40 0 GHABRN COc1cc(NC(=S)NC(=O)c2ccc(C)cc2)ccc1-c1ccc(CO)o1 ZINC000020151591 570244615 /nfs/dbraw/zinc/24/46/15/570244615.db2.gz BVFRNOZXIDIWMY-UHFFFAOYSA-N 0 0 396.468 3.883 40 0 GHABRN COc1ccc2[nH]c(SCC(=O)Nc3ccccc3C(=O)OC(C)C)nc2c1 ZINC000020197213 570247093 /nfs/dbraw/zinc/24/70/93/570247093.db2.gz KKQTXHLSIBYBJR-UHFFFAOYSA-N 0 0 399.472 3.868 40 0 GHABRN CCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448372 570255996 /nfs/dbraw/zinc/25/59/96/570255996.db2.gz GRMOQXBTSOQPMU-ZDUSSCGKSA-N 0 0 392.908 3.620 40 0 GHABRN CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)c(F)c2)cc1OCC ZINC000020450713 570256797 /nfs/dbraw/zinc/25/67/97/570256797.db2.gz HLFOOONTAALRNN-ZDUSSCGKSA-N 0 0 397.468 3.671 40 0 GHABRN Cc1nccn1-c1ccccc1CNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000020455823 570259039 /nfs/dbraw/zinc/25/90/39/570259039.db2.gz YIJUQLXVBBHQLW-UHFFFAOYSA-N 0 0 396.299 3.966 40 0 GHABRN O=C(NC1CCCC1)[C@@H](c1ccco1)N(Cc1ccco1)C(=O)c1ccco1 ZINC000001382752 570261434 /nfs/dbraw/zinc/26/14/34/570261434.db2.gz GYELYCKFRYIYLY-LJQANCHMSA-N 0 0 382.416 3.908 40 0 GHABRN O=C(/C=C/c1ccco1)N1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000585292310 570261619 /nfs/dbraw/zinc/26/16/19/570261619.db2.gz KOGOKUCQUQJEEM-LLYBFZRZSA-N 0 0 395.488 3.764 40 0 GHABRN Cc1nc2sc(C(=O)NCc3ccc4c(c3)OCO4)c(N)c2c2c1CCCC2 ZINC000001472208 570264218 /nfs/dbraw/zinc/26/42/18/570264218.db2.gz JNJLVZLAQWMERZ-UHFFFAOYSA-N 0 0 395.484 3.724 40 0 GHABRN Cc1ncsc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccncc3)o2)CC1 ZINC000100155792 570267745 /nfs/dbraw/zinc/26/77/45/570267745.db2.gz KWUOOUOMUOLHFI-OKILXGFUSA-N 0 0 383.477 3.600 40 0 GHABRN Cc1cccc(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 ZINC000020610419 570272077 /nfs/dbraw/zinc/27/20/77/570272077.db2.gz WJVKMIJAAJFHLY-UHFFFAOYSA-N 0 0 376.391 3.886 40 0 GHABRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1ccccc1F ZINC000020610978 570272194 /nfs/dbraw/zinc/27/21/94/570272194.db2.gz JHMDIOFNPKOADA-UHFFFAOYSA-N 0 0 376.391 3.886 40 0 GHABRN COc1ccc(-c2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(F)cc2)C4)cc1 ZINC000020671435 570274392 /nfs/dbraw/zinc/27/43/92/570274392.db2.gz KWOSEQGRJNJVQH-HNNXBMFYSA-N 0 0 388.402 3.852 40 0 GHABRN CC(=O)NC[C@H]1CC[C@H]([C@H](NC(=O)Cc2cccc(F)c2)c2ccccn2)CC1 ZINC000100750327 570276613 /nfs/dbraw/zinc/27/66/13/570276613.db2.gz KBOXTXOIPPTSKR-GWJPWWOOSA-N 0 0 397.494 3.563 40 0 GHABRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cccs2)C(=O)N1c1ccccc1 ZINC000101996592 570286443 /nfs/dbraw/zinc/28/64/43/570286443.db2.gz CTKZRGNTAQNXDM-QRVBRYPASA-N 0 0 376.437 3.799 40 0 GHABRN CCCc1c(C(=O)OCC)nnc2c(-c3ccc(Cl)cc3)c(COC)nn21 ZINC000021006174 570287252 /nfs/dbraw/zinc/28/72/52/570287252.db2.gz ZMUYEQJIIWQRSI-UHFFFAOYSA-N 0 0 388.855 3.720 40 0 GHABRN Cc1nccn1-c1ccc(CNS(=O)(=O)Cc2c(F)cccc2Cl)cc1 ZINC000216312813 570298698 /nfs/dbraw/zinc/29/86/98/570298698.db2.gz WODFYQQGMBCIOU-UHFFFAOYSA-N 0 0 393.871 3.593 40 0 GHABRN CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000042646295 570303164 /nfs/dbraw/zinc/30/31/64/570303164.db2.gz RJLDVQOGJKXIHH-UHFFFAOYSA-N 0 0 380.366 3.748 40 0 GHABRN Clc1cccc(-c2nnc(-c3cc4c(ncnc4N4CCOCC4)s3)o2)c1 ZINC000216608446 570303407 /nfs/dbraw/zinc/30/34/07/570303407.db2.gz HUHXTROKOAHJDO-UHFFFAOYSA-N 0 0 399.863 3.898 40 0 GHABRN Cc1ccc(-n2nc3cc(Br)c(N)c(Br)c3n2)cc1 ZINC000575415203 570306110 /nfs/dbraw/zinc/30/61/10/570306110.db2.gz ZRFDPXRMHYEWCL-UHFFFAOYSA-N 0 0 382.059 3.836 40 0 GHABRN COc1c(C)cccc1C(=O)NC(=S)Nc1c2nsnc2ccc1Cl ZINC000021596104 570307210 /nfs/dbraw/zinc/30/72/10/570307210.db2.gz DBARADIDXRCUQY-UHFFFAOYSA-N 0 0 392.893 3.789 40 0 GHABRN Cc1cccc(C(C)C)c1NC(=O)COc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000022230774 570308371 /nfs/dbraw/zinc/30/83/71/570308371.db2.gz BCEJPYYNFFNAMJ-UHFFFAOYSA-N 0 0 390.505 3.532 40 0 GHABRN COc1ccc(N(C)S(C)(=O)=O)cc1C(=O)Nc1c(C)cccc1C(C)C ZINC000022251655 570310879 /nfs/dbraw/zinc/31/08/79/570310879.db2.gz NLLGWAKGHQZTHU-UHFFFAOYSA-N 0 0 390.505 3.775 40 0 GHABRN Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 ZINC000022340409 570314001 /nfs/dbraw/zinc/31/40/01/570314001.db2.gz NDJXFDBGGBPUKR-GOSISDBHSA-N 0 0 388.533 3.564 40 0 GHABRN CCOc1ccc(CCC(=O)NCc2ccccc2-n2ccnc2)cc1OCC ZINC000022519827 570319954 /nfs/dbraw/zinc/31/99/54/570319954.db2.gz HSDPFOUQSLZIBM-UHFFFAOYSA-N 0 0 393.487 3.919 40 0 GHABRN CCN(CC)C(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000022275013 570330156 /nfs/dbraw/zinc/33/01/56/570330156.db2.gz QAXRFDBLOOPINM-UHFFFAOYSA-N 0 0 394.924 3.712 40 0 GHABRN CCN(CC)C(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000022274108 570330207 /nfs/dbraw/zinc/33/02/07/570330207.db2.gz VKXVJALSRVGIHE-UHFFFAOYSA-N 0 0 388.533 3.874 40 0 GHABRN CC[C@@H](C)NC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000113965895 570337381 /nfs/dbraw/zinc/33/73/81/570337381.db2.gz OUBAVTZEBPLIIA-QGZVFWFLSA-N 0 0 388.533 3.798 40 0 GHABRN CC[C@@H](C(=O)Nc1ccccc1SC)N(c1ccccc1F)S(C)(=O)=O ZINC000113966912 570337702 /nfs/dbraw/zinc/33/77/02/570337702.db2.gz MQNLOAOBDGNQPU-HNNXBMFYSA-N 0 0 396.509 3.731 40 0 GHABRN CC[C@H](C(=O)Nc1cccc(C)c1C)N(c1ccccc1F)S(C)(=O)=O ZINC000113967793 570338400 /nfs/dbraw/zinc/33/84/00/570338400.db2.gz QSIQUCARKVHCJW-QGZVFWFLSA-N 0 0 378.469 3.626 40 0 GHABRN COc1ccccc1-c1ccccc1C[C@H]1C(=O)N(C)CCN1C(=O)CC(C)C ZINC000072351477 570339485 /nfs/dbraw/zinc/33/94/85/570339485.db2.gz VEEUFAAJNNTVTH-NRFANRHFSA-N 0 0 394.515 3.620 40 0 GHABRN C[C@@H](C(=O)Nc1c(Cl)cccc1Cl)N(c1ccccc1)S(C)(=O)=O ZINC000408577065 570342926 /nfs/dbraw/zinc/34/29/26/570342926.db2.gz IDOVAEXWZMLYTL-NSHDSACASA-N 0 0 387.288 3.787 40 0 GHABRN CC(C)Oc1cccc(CCCNC(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000219202548 570349276 /nfs/dbraw/zinc/34/92/76/570349276.db2.gz MUBIIXYIRCUTJD-UHFFFAOYSA-N 0 0 380.488 3.963 40 0 GHABRN CC[C@@H](NC(=O)[C@H](C)Oc1cc(C)cc(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000219551845 570366821 /nfs/dbraw/zinc/36/68/21/570366821.db2.gz XMNLSBIHPFIBCJ-OXJNMPFZSA-N 0 0 389.517 3.742 40 0 GHABRN CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC)c(OC)c1OC ZINC000219602718 570370247 /nfs/dbraw/zinc/37/02/47/570370247.db2.gz JRZCDJNSVKKWHI-MRXNPFEDSA-N 0 0 393.867 3.840 40 0 GHABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)C=Cc2ccco2)c1 ZINC000408625445 570373661 /nfs/dbraw/zinc/37/36/61/570373661.db2.gz DLVACUWMOFINQS-SOFGYWHQSA-N 0 0 377.853 3.808 40 0 GHABRN O=C(COc1ccc(I)cc1)NC1CCCCCCC1 ZINC000219832872 570376130 /nfs/dbraw/zinc/37/61/30/570376130.db2.gz FWUDMEBTMZIIIG-UHFFFAOYSA-N 0 0 387.261 3.899 40 0 GHABRN NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1c1ncnc2scc(-c3ccccc3)c21 ZINC000058161447 570377761 /nfs/dbraw/zinc/37/77/61/570377761.db2.gz WDBLGKMKELIUNG-HYVNUMGLSA-N 0 0 378.501 3.981 40 0 GHABRN CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccco2)CC1 ZINC000408629276 570382248 /nfs/dbraw/zinc/38/22/48/570382248.db2.gz ULLFXDHLQXAXIO-SOFGYWHQSA-N 0 0 387.867 3.644 40 0 GHABRN CCSc1ccccc1NC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O ZINC000220318309 570384866 /nfs/dbraw/zinc/38/48/66/570384866.db2.gz MJHKBJZPXPMGMJ-CYBMUJFWSA-N 0 0 396.509 3.731 40 0 GHABRN CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(F)cc1 ZINC000222388834 570409233 /nfs/dbraw/zinc/40/92/33/570409233.db2.gz 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Cc1cccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000222671773 570419968 /nfs/dbraw/zinc/41/99/68/570419968.db2.gz YBSOJXVLWHUXAW-SFHVURJKSA-N 0 0 382.504 3.706 40 0 GHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 ZINC000222684390 570420753 /nfs/dbraw/zinc/42/07/53/570420753.db2.gz OIVAXANLNSJDCH-ZDUSSCGKSA-N 0 0 379.287 3.699 40 0 GHABRN COc1ccc(-c2noc(CN(C)C(=O)CSCc3cccc(C)c3)n2)cc1 ZINC000222747600 570423731 /nfs/dbraw/zinc/42/37/31/570423731.db2.gz FGIYUGSEJXDBTF-UHFFFAOYSA-N 0 0 397.500 3.945 40 0 GHABRN CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222789660 570426261 /nfs/dbraw/zinc/42/62/61/570426261.db2.gz DFTBNXGAGGXMQU-OAQYLSRUSA-N 0 0 384.495 3.948 40 0 GHABRN COc1cccc(-c2noc(CNC(=O)COc3ccccc3C(C)C)n2)c1 ZINC000222813965 570427077 /nfs/dbraw/zinc/42/70/77/570427077.db2.gz IUXFHVBDMQNFAK-UHFFFAOYSA-N 0 0 381.432 3.564 40 0 GHABRN Cc1ccc(N([C@@H](C)C(=O)NCc2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000222847382 570428734 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CCOC(=O)c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 ZINC000006630667 856382686 /nfs/dbraw/zinc/38/26/86/856382686.db2.gz JJEUJARGCCSVKF-LSTHTHJFSA-N 0 0 381.428 3.894 40 0 GHABRN CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000006880299 856383950 /nfs/dbraw/zinc/38/39/50/856383950.db2.gz XOEWDKXGBLJPTH-UHFFFAOYSA-N 0 0 398.887 3.739 40 0 GHABRN Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000006961904 856388570 /nfs/dbraw/zinc/38/85/70/856388570.db2.gz TWCKFKDFVZOKLC-VGOFMYFVSA-N 0 0 392.228 3.518 40 0 GHABRN COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1C ZINC000007360552 856393213 /nfs/dbraw/zinc/39/32/13/856393213.db2.gz UBEWFLDSRBWSGV-UHFFFAOYSA-N 0 0 377.462 3.714 40 0 GHABRN CCOCCCNC(=O)c1cc2c(nc(SC)nc2N2CCCCC2)s1 ZINC000007604223 856393888 /nfs/dbraw/zinc/39/38/88/856393888.db2.gz NKRYDPBBNHJILQ-UHFFFAOYSA-N 0 0 394.566 3.560 40 0 GHABRN COc1ccc(Cl)cc1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000008041042 856397941 /nfs/dbraw/zinc/39/79/41/856397941.db2.gz 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O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000011474749 856419229 /nfs/dbraw/zinc/41/92/29/856419229.db2.gz FVYMLZGRPTWHBH-UHFFFAOYSA-N 0 0 394.378 3.897 40 0 GHABRN Cn1nccc1CN1CCO[C@H](c2ccc(Cc3ccccc3Cl)cn2)C1 ZINC000019692378 856422459 /nfs/dbraw/zinc/42/24/59/856422459.db2.gz UPSSXOJVKGBGRD-NRFANRHFSA-N 0 0 382.895 3.633 40 0 GHABRN O=C(Cc1ccccc1)N1CC[C@H](c2cc(COc3cccc(F)c3)n[nH]2)C1 ZINC000019704905 856425204 /nfs/dbraw/zinc/42/52/04/856425204.db2.gz AVZTVNXJNUVHMX-KRWDZBQOSA-N 0 0 379.435 3.686 40 0 GHABRN CCN(C(C)=O)[C@@H]1CCO[C@H](c2ccc(CN(C)Cc3nccn3CC)cc2)C1 ZINC000019711934 856425984 /nfs/dbraw/zinc/42/59/84/856425984.db2.gz FFFGFJDISMNWGM-YADHBBJMSA-N 0 0 398.551 3.624 40 0 GHABRN CC(=O)N1CCCCC[C@@H]2N(C(=O)c3cnn(C)c3)[C@H](c3ccccc3)C[C@@]21C ZINC000019713545 856428452 /nfs/dbraw/zinc/42/84/52/856428452.db2.gz GZUWZVZWLRPXSL-FUDKSRODSA-N 0 0 394.519 3.557 40 0 GHABRN Cc1cccc(C)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 ZINC000033497531 856438294 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CC[C@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000107735226 856449776 /nfs/dbraw/zinc/44/97/76/856449776.db2.gz YXVDUHMJCISMEW-HNNXBMFYSA-N 0 0 394.924 3.758 40 0 GHABRN COc1ccc2ccc(OC)c(/C=c3\sc4nc5ccccc5n4c3=O)c2c1 ZINC000168978090 856453959 /nfs/dbraw/zinc/45/39/59/856453959.db2.gz SLTIGOQTKWFCBK-NDENLUEZSA-N 0 0 388.448 3.627 40 0 GHABRN COc1ccc(-c2n[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1OC ZINC000064875510 857306680 /nfs/dbraw/zinc/30/66/80/857306680.db2.gz YVEXKWVJTXKLLH-UHFFFAOYSA-N 0 0 388.468 3.603 40 0 GHABRN CC(C)(C)OC(=O)N1CCC[C@H](N2Cc3ccc(Br)cc3C2=O)C1 ZINC000095097793 860523619 /nfs/dbraw/zinc/52/36/19/860523619.db2.gz PTIOBJPMYQSBSA-AWEZNQCLSA-N 0 0 395.297 3.804 40 0 GHABRN Cc1ccc2c(n1)N(C)[C@@H](c1ccc(NC(=O)C[C@@H]3C=CCC3)cc1)NC2=O ZINC000248339843 870329972 /nfs/dbraw/zinc/32/99/72/870329972.db2.gz UDKBFCIPEVDKHM-QRWLVFNGSA-N 0 0 376.460 3.563 40 0 GHABRN CCOc1ccc(CNC(=O)c2cccc(N3CCCC3=O)c2)cc1OCC ZINC000219211365 222593990 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Cc1c(Cl)cccc1N1C[C@H](C(=O)OCC(=O)c2ccc(F)cc2)CC1=O ZINC000408659575 231092262 /nfs/dbraw/zinc/09/22/62/231092262.db2.gz VYBODVFJRZAKJB-CQSZACIVSA-N 0 0 389.810 3.567 40 0 GHABRN COCCn1c(Cc2ccccc2)nnc1SCCOc1ccc(C)cc1 ZINC000409108421 231162486 /nfs/dbraw/zinc/16/24/86/231162486.db2.gz TUILLNPDRMTNAA-UHFFFAOYSA-N 0 0 383.517 3.995 40 0 GHABRN O=C1C[C@H](c2ccccc2OCc2ccc(Cl)cc2Cl)N2NC=NC2=N1 ZINC000409378718 231197262 /nfs/dbraw/zinc/19/72/62/231197262.db2.gz QRRZUXGOCRFEJG-OAHLLOKOSA-N 0 0 389.242 3.748 40 0 GHABRN Cc1cccc(NC(=O)/C=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)c1 ZINC000409171537 231174423 /nfs/dbraw/zinc/17/44/23/231174423.db2.gz DEGRICFNEOQOCO-OUKQBFOZSA-N 0 0 396.468 3.718 40 0 GHABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)cc1 ZINC000222966461 222620883 /nfs/dbraw/zinc/62/08/83/222620883.db2.gz WDNUVOPJCZSXHN-LJQANCHMSA-N 0 0 388.895 3.581 40 0 GHABRN O=C(CN1C(=O)S/C(=C\c2cccc3ccccc23)C1=O)NCc1ccco1 ZINC000409216580 231182338 /nfs/dbraw/zinc/18/23/38/231182338.db2.gz JNDVIIPOSSZYSI-WQRHYEAKSA-N 0 0 392.436 3.786 40 0 GHABRN COCCCN1C(=O)S/C(=C/c2cc(Br)ccc2OC)C1=O ZINC000409222840 231182999 /nfs/dbraw/zinc/18/29/99/231182999.db2.gz XUQOTXRQFYAROG-UKTHLTGXSA-N 0 0 386.267 3.531 40 0 GHABRN Cc1ccc(N([C@H](C)C(=O)Nc2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000409380263 231198083 /nfs/dbraw/zinc/19/80/83/231198083.db2.gz ASWCEMUCWMHUJP-MRXNPFEDSA-N 0 0 382.485 3.941 40 0 GHABRN CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2O)n1CC ZINC000409412439 529595543 /nfs/dbraw/zinc/59/55/43/529595543.db2.gz WTXDRNPNJRKQMT-UHFFFAOYSA-N 0 0 382.489 3.964 40 0 GHABRN CCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 ZINC000408624479 529601079 /nfs/dbraw/zinc/60/10/79/529601079.db2.gz QKCAQWWPNJFBKJ-UHFFFAOYSA-N 0 0 386.517 3.984 40 0 GHABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(C)cc1 ZINC000223551723 222635708 /nfs/dbraw/zinc/63/57/08/222635708.db2.gz UKFUFQYVTKOARJ-FQEVSTJZSA-N 0 0 380.532 3.914 40 0 GHABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1 ZINC000224728656 222662484 /nfs/dbraw/zinc/66/24/84/222662484.db2.gz ISUVUCKNZNFAMY-FQEVSTJZSA-N 0 0 396.531 3.934 40 0 GHABRN Cc1sc2nc(SCC(=O)Nc3cc(C)ccc3C)n(C)c(=O)c2c1C ZINC000002394527 203942004 /nfs/dbraw/zinc/94/20/04/203942004.db2.gz SSMKVIBYVWJCGF-UHFFFAOYSA-N 0 0 387.530 3.959 40 0 GHABRN CCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000003814700 204020362 /nfs/dbraw/zinc/02/03/62/204020362.db2.gz DIIJJSMSKXETBH-UHFFFAOYSA-N 0 0 395.406 3.768 40 0 GHABRN Cc1ccc([C@H]2[C@@H]3C(=O)N(C(C)C)C(=O)[C@H]3ON2c2ccc(Cl)cc2)cc1 ZINC000004171777 204029700 /nfs/dbraw/zinc/02/97/00/204029700.db2.gz YZTAPIFIOPKYTP-FHWLQOOXSA-N 0 0 384.863 3.903 40 0 GHABRN COc1ccc([C@H](OC(=O)c2ccco2)C(=O)NCCc2ccccc2)cc1 ZINC000004900702 204088144 /nfs/dbraw/zinc/08/81/44/204088144.db2.gz WGVBCMRYYWNEFN-FQEVSTJZSA-N 0 0 379.412 3.545 40 0 GHABRN CCOc1ccccc1NC(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1 ZINC000004388935 204043695 /nfs/dbraw/zinc/04/36/95/204043695.db2.gz OQPCEYLLBHKFND-UHFFFAOYSA-N 0 0 381.476 3.820 40 0 GHABRN 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ZINC000409193107 529192106 /nfs/dbraw/zinc/19/21/06/529192106.db2.gz BUGTYPXOHQUFTL-BRYHAGSVSA-N 0 0 380.444 3.965 40 0 GHABRN CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1)C(=O)c1ccccc1 ZINC000408658107 529238666 /nfs/dbraw/zinc/23/86/66/529238666.db2.gz UVRUZKKIERGUDG-AZUAARDMSA-N 0 0 379.456 3.861 40 0 GHABRN COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1Br ZINC000006315615 536870287 /nfs/dbraw/zinc/87/02/87/536870287.db2.gz RCVJKCHUEPOPQK-UHFFFAOYSA-N 0 0 382.279 3.599 40 0 GHABRN FC(F)(F)c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3csnn3)n2)cc1 ZINC000067898595 560049816 /nfs/dbraw/zinc/04/98/16/560049816.db2.gz HGEFWDAQQBSGAU-HNNXBMFYSA-N 0 0 395.410 3.521 40 0 biogenic,in-vitro GHABRN COc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3C(=O)CC(C)(C)C)n2)cc1 ZINC000015675975 560094713 /nfs/dbraw/zinc/09/47/13/560094713.db2.gz WPJPVPHYLBGQIF-KRWDZBQOSA-N 0 0 395.463 3.531 40 0 biogenic,in-vitro GHABRN CCn1ncc(-c2cc(C(=O)NCCc3nc(C(C)(C)C)cs3)on2)c1C ZINC000019719066 570210245 /nfs/dbraw/zinc/21/02/45/570210245.db2.gz MZDYFRVKRAGDHC-UHFFFAOYSA-N 0 0 387.509 3.593 40 0 GHABRN CCCn1ncc2ccc([C@H]3CCCN(CC(=O)Nc4ccccc4F)C3)nc21 ZINC000019743652 570213325 /nfs/dbraw/zinc/21/33/25/570213325.db2.gz SVWDBHCRZKPFSS-KRWDZBQOSA-N 0 0 395.482 3.799 40 0 GHABRN CCc1noc(C)c1C(=O)N1CCC(CC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000019748549 570214337 /nfs/dbraw/zinc/21/43/37/570214337.db2.gz DCIUXLUIQQICOB-OAHLLOKOSA-N 0 0 383.492 3.665 40 0 GHABRN FC(F)(F)Oc1cccc(-c2cc(NCc3ccco3)nc(NC3CC3)n2)c1 ZINC000329055518 570215580 /nfs/dbraw/zinc/21/55/80/570215580.db2.gz VPACBVHHQORQMI-UHFFFAOYSA-N 0 0 390.365 3.665 40 0 GHABRN Cc1ccccc1C(=O)N1C[C@H](C(=O)Nc2cccc(F)c2)C2(C1)CCOCC2 ZINC000096241084 570222394 /nfs/dbraw/zinc/22/23/94/570222394.db2.gz SQBOMRONDXYDQF-HXUWFJFHSA-N 0 0 396.462 3.642 40 0 GHABRN CCc1ccccc1NC(=O)N1CCc2nc(N3CCCC3)nc(C)c2CC1 ZINC000096254692 570225075 /nfs/dbraw/zinc/22/50/75/570225075.db2.gz BHRJOURBFADGPI-UHFFFAOYSA-N 0 0 379.508 3.580 40 0 GHABRN CCCc1ccc(C(=O)N2CCc3nc(N4CCCC4)nc(C)c3CC2)cc1 ZINC000096254683 570225079 /nfs/dbraw/zinc/22/50/79/570225079.db2.gz ABJMZQNXCUXYDQ-UHFFFAOYSA-N 0 0 378.520 3.579 40 0 GHABRN C[C@H](NC(=O)c1cnc(-c2ccccc2)[nH]c1=O)c1ccc(Br)cc1 ZINC000019937337 570231960 /nfs/dbraw/zinc/23/19/60/570231960.db2.gz LIOLAAAXZNWLJQ-LBPRGKRZSA-N 0 0 398.260 3.690 40 0 GHABRN C[C@@H](CCc1ccccc1)NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000019937713 570232049 /nfs/dbraw/zinc/23/20/49/570232049.db2.gz MTUZIGIFKHRMAM-HNNXBMFYSA-N 0 0 395.890 3.770 40 0 GHABRN CC[C@@](Br)([C@@H](O)c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000096521561 570233518 /nfs/dbraw/zinc/23/35/18/570233518.db2.gz CSDPTVHMQWBXNY-QWRGUYRKSA-N 0 0 376.099 3.573 40 0 GHABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC(C(C)C)C(C)C ZINC000020061635 570238494 /nfs/dbraw/zinc/23/84/94/570238494.db2.gz CYVKAHBGMKAJPX-UHFFFAOYSA-N 0 0 394.581 3.970 40 0 GHABRN CCC[C@H](C)NC(=O)C1=C(c2ccccc2)c2ccccc2N(C)S1(=O)=O ZINC000020063450 570238500 /nfs/dbraw/zinc/23/85/00/570238500.db2.gz YXAGQMDAKZYVDL-HNNXBMFYSA-N 0 0 384.501 3.530 40 0 GHABRN COc1ccc(-c2nnc(C3CCN(C(=O)c4ccc(F)cc4)CC3)o2)cc1 ZINC000020320949 570252049 /nfs/dbraw/zinc/25/20/49/570252049.db2.gz WYNLQSJCDSODRZ-UHFFFAOYSA-N 0 0 381.407 3.904 40 0 GHABRN CC(C)c1ccc(N(CC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000020450743 570256807 /nfs/dbraw/zinc/25/68/07/570256807.db2.gz XMJKTIMBTYQSEA-HNNXBMFYSA-N 0 0 392.496 3.593 40 0 GHABRN O=C(C=Cc1ccccc1)N1CCC[C@H](c2csc(=Nc3cnccn3)[nH]2)C1 ZINC000585291499 570260348 /nfs/dbraw/zinc/26/03/48/570260348.db2.gz CYCBQPFNYBPGRL-IJDCCNJMSA-N 0 0 391.500 3.518 40 0 GHABRN Cc1cccnc1Nc1cc([C@H]2CCN2C(=O)/C=C/c2cccnc2)nc(C)n1 ZINC000585293012 570261954 /nfs/dbraw/zinc/26/19/54/570261954.db2.gz RDVUWOVEAYDYMX-IHHMQQGQSA-N 0 0 386.459 3.614 40 0 GHABRN Cc1csc(Nc2cc([C@@H]3CCN(C(=O)/C=C/c4ccco4)C3)nc(C)n2)n1 ZINC000585293057 570262260 /nfs/dbraw/zinc/26/22/60/570262260.db2.gz VPCBFWVTBXQPGP-LLYBFZRZSA-N 0 0 395.488 3.916 40 0 GHABRN COc1ccc2[nH]c(=O)c(CNC(=O)c3c(C)n(C)c4ccccc43)cc2c1 ZINC000585294379 570263408 /nfs/dbraw/zinc/26/34/08/570263408.db2.gz DLFGLBDEVSCHBP-UHFFFAOYSA-N 0 0 375.428 3.679 40 0 GHABRN COc1c(O)c(OC)c(Br)c(Br)c1Br ZINC000001719012 570267668 /nfs/dbraw/zinc/26/76/68/570267668.db2.gz CEJKHROJXSNGKC-UHFFFAOYSA-N 0 0 390.853 3.697 40 0 GHABRN CC(C)CC(=O)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 ZINC000100158905 570268043 /nfs/dbraw/zinc/26/80/43/570268043.db2.gz NAJPYMACQCFKRK-BETUJISGSA-N 0 0 383.418 3.579 40 0 GHABRN O=C([C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1)N1CCOCC1 ZINC000002043275 570272328 /nfs/dbraw/zinc/27/23/28/570272328.db2.gz JLYFUFOHEMNAJQ-HSZRJFAPSA-N 0 0 387.479 3.565 40 0 GHABRN CCCCCN1c2nc3ccccc3n2[C@@H](c2ccco2)[C@@H](C(=O)OCC)C1=O ZINC000020675606 570274698 /nfs/dbraw/zinc/27/46/98/570274698.db2.gz PXBJXMZWWRNUAJ-MOPGFXCFSA-N 0 0 395.459 3.935 40 0 GHABRN COc1ccccc1-c1nn2c([nH]c(CCc3c(C)n[nH]c3C)cc2=O)c1C ZINC000100775756 570277760 /nfs/dbraw/zinc/27/77/60/570277760.db2.gz SRCKGKJEQIGGLG-UHFFFAOYSA-N 0 0 377.448 3.544 40 0 GHABRN 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DPAJSRGJSPCNLJ-HNNXBMFYSA-N 0 0 381.501 3.986 40 0 GHABRN Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)c1 ZINC000113958189 570336824 /nfs/dbraw/zinc/33/68/24/570336824.db2.gz SHLOFOXLRGLSAC-QGZVFWFLSA-N 0 0 386.517 3.579 40 0 GHABRN O=C(COc1ccccc1Cl)NCc1nc(-c2ccccc2Cl)no1 ZINC000218851903 570342047 /nfs/dbraw/zinc/34/20/47/570342047.db2.gz DDDNPGGKWMHMRL-UHFFFAOYSA-N 0 0 378.215 3.739 40 0 GHABRN COc1cc(CNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc(OC)c1OC ZINC000219027787 570346190 /nfs/dbraw/zinc/34/61/90/570346190.db2.gz ICMKKXVBXARQGP-HNNXBMFYSA-N 0 0 395.455 3.949 40 0 GHABRN CC[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C)c1ccc(S(C)(=O)=O)cc1 ZINC000219074914 570347547 /nfs/dbraw/zinc/34/75/47/570347547.db2.gz QCNSQNHCXUKZFX-LPHOPBHVSA-N 0 0 389.517 3.742 40 0 GHABRN COc1ccc2c(c1)[C@@H](NC(=O)c1cccc(N3CCCC3=O)c1)CC(C)(C)O2 ZINC000219215354 570349637 /nfs/dbraw/zinc/34/96/37/570349637.db2.gz IUZRMAFKGHCPCX-IBGZPJMESA-N 0 0 394.471 3.854 40 0 GHABRN C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]12Cc1c(c3c(cc1O)CNC3=O)O2 ZINC000604381402 570352350 /nfs/dbraw/zinc/35/23/50/570352350.db2.gz NSKHZIOXIKSFER-TWDUYNABSA-N 0 0 385.504 3.543 40 0 biogenic,in-vitro GHABRN CC[C@H](NC(=O)[C@H](CC)Oc1ccccc1C)c1ccc(S(C)(=O)=O)cc1 ZINC000219314733 570354424 /nfs/dbraw/zinc/35/44/24/570354424.db2.gz OWJFUKBQASWAQA-OALUTQOASA-N 0 0 389.517 3.823 40 0 GHABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccccc1C)c1ccc(S(C)(=O)=O)cc1 ZINC000219314705 570354543 /nfs/dbraw/zinc/35/45/43/570354543.db2.gz OWJFUKBQASWAQA-MOPGFXCFSA-N 0 0 389.517 3.823 40 0 GHABRN CC[C@@H](NC(=O)[C@H](CC)Oc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000219328512 570355079 /nfs/dbraw/zinc/35/50/79/570355079.db2.gz RALJYDADXKALEL-MOPGFXCFSA-N 0 0 393.480 3.654 40 0 GHABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2cccc(OC)c2)no1 ZINC000219380833 570357670 /nfs/dbraw/zinc/35/76/70/570357670.db2.gz CYOQNVULIGVBQG-SFHVURJKSA-N 0 0 395.459 3.836 40 0 GHABRN CCC[C@H](c1nnnn1C1CCCCC1)N1CCN(c2cccc(OC)c2)CC1 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40 0 GHABRN Cc1cnc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)s1 ZINC000102674287 570380241 /nfs/dbraw/zinc/38/02/41/570380241.db2.gz HBEUFZMWNWNRGE-GASCZTMLSA-N 0 0 382.489 3.607 40 0 GHABRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220494991 570387439 /nfs/dbraw/zinc/38/74/39/570387439.db2.gz HCFADCOSIWSNGX-KRWDZBQOSA-N 0 0 380.897 3.832 40 0 GHABRN CCOc1cccc(NC(=O)[C@@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)c1 ZINC000220518070 570387731 /nfs/dbraw/zinc/38/77/31/570387731.db2.gz OCQHPPWZMFTVOC-LJQANCHMSA-N 0 0 390.505 3.577 40 0 GHABRN CC[C@@H](C(=O)N(C)Cc1ccccc1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220528706 570387733 /nfs/dbraw/zinc/38/77/33/570387733.db2.gz YPNWYQYVRLMKNE-IBGZPJMESA-N 0 0 388.533 3.507 40 0 GHABRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccccc1F)S(C)(=O)=O ZINC000220585918 570388882 /nfs/dbraw/zinc/38/88/82/570388882.db2.gz KVLDAHZTSPIFEO-HNNXBMFYSA-N 0 0 384.860 3.662 40 0 GHABRN CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000220610984 570389154 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FHBQICIBNHSQFV-UHFFFAOYSA-N 0 0 390.409 3.644 40 0 GHABRN O=C(NCc1ccccc1)[C@H]1CN(C(=O)C2CCCCC2)c2ccccc2O1 ZINC000222972924 136205208 /nfs/dbraw/zinc/20/52/08/136205208.db2.gz AECBMJMQMYXZEY-OAQYLSRUSA-N 0 0 378.472 3.677 40 0 GHABRN CCCC[C@H](CC)CNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000042792320 221945453 /nfs/dbraw/zinc/94/54/53/221945453.db2.gz VFNWAEWONLPEAC-SFHVURJKSA-N 0 0 394.581 3.561 40 0 GHABRN COC(=O)c1c(NC(=O)CSCc2ccc(OC)cc2)sc2c1CCC2 ZINC000408575304 533701394 /nfs/dbraw/zinc/70/13/94/533701394.db2.gz JMKZSGFSPBPEDH-UHFFFAOYSA-N 0 0 391.514 3.904 40 0 GHABRN C[C@@H]1CCC[C@H](C)N1NC(=O)c1ccc(C(=O)NN2[C@H](C)CCC[C@@H]2C)cc1 ZINC000035191312 533829104 /nfs/dbraw/zinc/82/91/04/533829104.db2.gz QFROWPANECRLGK-USTZCAOPSA-N 0 0 386.540 3.502 40 0 GHABRN COC(=O)c1cc(NC(=O)COc2ccccc2C(C)(C)C)cc(C(=O)OC)c1 ZINC000408680354 533862315 /nfs/dbraw/zinc/86/23/15/533862315.db2.gz RKODFYYQAXFCIT-UHFFFAOYSA-N 0 0 399.443 3.575 40 0 GHABRN 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393.531 3.835 40 0 GHABRN Cn1ccnc1CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 ZINC000257288945 206173492 /nfs/dbraw/zinc/17/34/92/206173492.db2.gz PWJMJUXXBOYOEE-FXAWDEMLSA-N 0 0 387.911 3.968 40 0 GHABRN O=C(c1cccc(=O)[nH]1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257285643 206173711 /nfs/dbraw/zinc/17/37/11/206173711.db2.gz PIDBYTBXVXKHHT-KRWDZBQOSA-N 0 0 383.835 3.997 40 0 GHABRN COc1cccc(CN2CCCC[C@@H]2c2nnc(-c3cccnc3)o2)c1OC ZINC000257307220 206177214 /nfs/dbraw/zinc/17/72/14/206177214.db2.gz SXRWKUDNZLPIFQ-QGZVFWFLSA-N 0 0 380.448 3.876 40 0 GHABRN CC(=O)N[C@@H]1C[C@H](c2ccc(N3CCCCC3)cc2C)OC2(CCOCC2)C1 ZINC000257303141 206177386 /nfs/dbraw/zinc/17/73/86/206177386.db2.gz SFZADKSTHXMFEE-DENIHFKCSA-N 0 0 386.536 3.891 40 0 GHABRN O=C(c1nccc2ccccc21)N1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257318489 206177784 /nfs/dbraw/zinc/17/77/84/206177784.db2.gz VOEILUPNJJIRNA-INIZCTEOSA-N 0 0 398.470 3.510 40 0 GHABRN Cc1noc(C)c1-c1cc([C@H]2CCCN2C(=O)c2ccc(C)nc2)nc(C)n1 ZINC000257314202 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3.675 40 0 GHABRN Cc1ccc(NCc2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)n2C)cc1 ZINC000000905052 570229061 /nfs/dbraw/zinc/22/90/61/570229061.db2.gz XSGYFHKNOLUMQH-HZPDHXFCSA-N 0 0 387.553 3.617 40 0 GHABRN COc1ccc(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1Cl ZINC000019931722 570230708 /nfs/dbraw/zinc/23/07/08/570230708.db2.gz LMLZEZGEWOFAJX-UHFFFAOYSA-N 0 0 389.260 3.626 40 0 GHABRN CC[C@@H](NC(=O)[C@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000019932802 570231205 /nfs/dbraw/zinc/23/12/05/570231205.db2.gz SENSPGJBZVWRRO-HNAYVOBHSA-N 0 0 392.496 3.556 40 0 GHABRN COc1ccc([C@@H](C)NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000019937728 570232092 /nfs/dbraw/zinc/23/20/92/570232092.db2.gz UUTNGVQEHYOIMV-CYBMUJFWSA-N 0 0 397.862 3.519 40 0 GHABRN CCC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2)ccc1OC ZINC000020025215 570235480 /nfs/dbraw/zinc/23/54/80/570235480.db2.gz DSJHYEYCFWNOGT-LBPRGKRZSA-N 0 0 396.896 3.737 40 0 GHABRN CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1Cl ZINC000020030008 570235871 /nfs/dbraw/zinc/23/58/71/570235871.db2.gz LNOZHTQWOCNQTQ-GFCCVEGCSA-N 0 0 399.896 3.795 40 0 GHABRN O=C(NC1CCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020104337 570239627 /nfs/dbraw/zinc/23/96/27/570239627.db2.gz AZWDBTXRJYLUJV-UHFFFAOYSA-N 0 0 378.881 3.813 40 0 GHABRN Cc1nc(/C=C/C(=O)N2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)cs1 ZINC000585289410 570257422 /nfs/dbraw/zinc/25/74/22/570257422.db2.gz FTOBSMCUZBSWQN-SUEBBETASA-N 0 0 398.528 3.832 40 0 GHABRN CN(C(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C1CCCC1 ZINC000020458422 570259831 /nfs/dbraw/zinc/25/98/31/570259831.db2.gz YGCXZBLSYMYUPM-UHFFFAOYSA-N 0 0 378.519 3.588 40 0 GHABRN Cc1cc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)ccc1N1CCCC1=O ZINC000020459889 570260285 /nfs/dbraw/zinc/26/02/85/570260285.db2.gz ZJNFNPHFQSLMEY-UHFFFAOYSA-N 0 0 392.908 3.596 40 0 GHABRN Cc1ccccc1-n1ncc2c1ncnc2SCC(=O)NC1CCCCC1 ZINC000001346286 570260862 /nfs/dbraw/zinc/26/08/62/570260862.db2.gz GBLOSEQADVBDMQ-UHFFFAOYSA-N 0 0 381.505 3.665 40 0 GHABRN COc1ccc(CNC(=O)[C@H](OC(=O)c2ccco2)c2ccc(C)cc2)cc1 ZINC000001381042 570261539 /nfs/dbraw/zinc/26/15/39/570261539.db2.gz HUTIRMWOBHQKHQ-HXUWFJFHSA-N 0 0 379.412 3.811 40 0 GHABRN Cc1cc(NC(=O)c2cccc(CN3CCOCC3)c2)ccc1Br ZINC000020487713 570262404 /nfs/dbraw/zinc/26/24/04/570262404.db2.gz ZULDLPWEZLLARQ-UHFFFAOYSA-N 0 0 389.293 3.842 40 0 GHABRN CCOC(=O)c1c2cnn(-c3ccccc3)c2n2cccc2c1C(=O)OCC ZINC000001612518 570266066 /nfs/dbraw/zinc/26/60/66/570266066.db2.gz VCMPKUHKJRODLS-UHFFFAOYSA-N 0 0 377.400 3.632 40 0 GHABRN CN(C)c1ccccc1NC(=O)OCCOC(=O)Nc1ccccc1N(C)C ZINC000001634157 570266423 /nfs/dbraw/zinc/26/64/23/570266423.db2.gz JZSSTPARSAEDMF-UHFFFAOYSA-N 0 0 386.452 3.616 40 0 GHABRN COc1cc(C(=O)NOCc2cccc(C(F)(F)F)c2)cc(OC)c1OC ZINC000001754754 570267825 /nfs/dbraw/zinc/26/78/25/570267825.db2.gz HFYBDAODRLPVKW-UHFFFAOYSA-N 0 0 385.338 3.593 40 0 GHABRN CCC(CC)C(=O)NC[C@H]1CC[C@H](c2ccnc3nc(C(F)(F)F)nn32)CC1 ZINC000100158980 570268038 /nfs/dbraw/zinc/26/80/38/570268038.db2.gz QYUVNNPBMJSQSA-XBXGTLAGSA-N 0 0 397.445 3.969 40 0 GHABRN COc1ccc(CC(=O)NC[C@H]2CC[C@H](c3nn(C)c4ncccc43)CC2)cc1 ZINC000100216408 570269145 /nfs/dbraw/zinc/26/91/45/570269145.db2.gz DCUNWWOISUBASL-HDICACEKSA-N 0 0 392.503 3.610 40 0 GHABRN C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@H](c2nc(N(C)C)ncc2-c2ccncc2)CC1 ZINC000100738966 570275701 /nfs/dbraw/zinc/27/57/01/570275701.db2.gz UFYAFKDMWKPDSR-ZAWLATJESA-N 0 0 393.535 3.651 40 0 GHABRN COc1ccc(-c2nn3c([nH]c(CCc4c(C)noc4C)cc3=O)c2C)cc1 ZINC000100776350 570277829 /nfs/dbraw/zinc/27/78/29/570277829.db2.gz UPEGJPSQPNDEJJ-UHFFFAOYSA-N 0 0 378.432 3.809 40 0 GHABRN Cn1nccc1CN1CCC[C@@H]1c1csc(NC(=O)c2ccc(F)cc2)n1 ZINC000585295303 570278646 /nfs/dbraw/zinc/27/86/46/570278646.db2.gz UCDIRWPDCKWDOG-QGZVFWFLSA-N 0 0 385.468 3.605 40 0 GHABRN COCc1nn2c(nnc(C(=O)Nc3ccccc3C)c2C)c1-c1ccccc1 ZINC000021006111 570287183 /nfs/dbraw/zinc/28/71/83/570287183.db2.gz UBZMJHKWTXRREE-UHFFFAOYSA-N 0 0 387.443 3.807 40 0 GHABRN O=C(CSc1n[nH]c(COc2ccc(Cl)cc2)n1)Nc1ccccc1F ZINC000021112913 570291780 /nfs/dbraw/zinc/29/17/80/570291780.db2.gz RYWSVPNIIWVDBE-UHFFFAOYSA-N 0 0 392.843 3.907 40 0 GHABRN O=C([O-])CCCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000072128514 570311728 /nfs/dbraw/zinc/31/17/28/570311728.db2.gz SCBNVXUKDLGALO-UHFFFAOYSA-N 0 0 394.515 3.982 40 0 in-vitro GHABRN CC[C@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(C)cc1C ZINC000022327161 570313292 /nfs/dbraw/zinc/31/32/92/570313292.db2.gz VTMZOYJVHQCPRR-IBGZPJMESA-N 0 0 388.533 3.645 40 0 GHABRN Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 ZINC000022329101 570313566 /nfs/dbraw/zinc/31/35/66/570313566.db2.gz QMOWOXVARHSIBF-GOSISDBHSA-N 0 0 388.533 3.564 40 0 GHABRN CN(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCNC(=O)OC(C)(C)C ZINC000072214482 570314486 /nfs/dbraw/zinc/31/44/86/570314486.db2.gz RIWJKCOGZIACLH-UHFFFAOYSA-N 0 0 393.484 3.941 40 0 GHABRN CC(C)Oc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000022380305 570314988 /nfs/dbraw/zinc/31/49/88/570314988.db2.gz RTVRAZGLEDVMGI-UHFFFAOYSA-N 0 0 396.896 3.532 40 0 GHABRN CC(C)c1ccccc1N(CC(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O ZINC000022397728 570315983 /nfs/dbraw/zinc/31/59/83/570315983.db2.gz LLJBCRURTAMAEP-HNNXBMFYSA-N 0 0 392.496 3.593 40 0 GHABRN Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072219395 570318103 /nfs/dbraw/zinc/31/81/03/570318103.db2.gz XFJFJBYLEBWBTA-FQEVSTJZSA-N 0 0 381.476 3.700 40 0 GHABRN O=c1c2cnc(N3CCCCC3)nc2ccn1-c1ccc(CC(F)(F)F)cc1 ZINC000022608835 570322856 /nfs/dbraw/zinc/32/28/56/570322856.db2.gz LDOVLXJETOMYRU-UHFFFAOYSA-N 0 0 388.393 3.876 40 0 GHABRN COC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113894885 570334665 /nfs/dbraw/zinc/33/46/65/570334665.db2.gz WVRTZGCUKMZTNL-UHFFFAOYSA-N 0 0 388.272 3.670 40 0 GHABRN Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000007477746 570334915 /nfs/dbraw/zinc/33/49/15/570334915.db2.gz KJOHSEZUARUWRS-FNHZYXHNSA-N 0 0 383.492 3.729 40 0 GHABRN Cc1ccc(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1C ZINC000113965676 570337419 /nfs/dbraw/zinc/33/74/19/570337419.db2.gz NRMYIAGTQYFPEV-UHFFFAOYSA-N 0 0 396.459 3.767 40 0 GHABRN CCOc1ccc(CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1OCC ZINC000219200746 570349278 /nfs/dbraw/zinc/34/92/78/570349278.db2.gz OZQIWVMAAXLICL-UHFFFAOYSA-N 0 0 382.460 3.541 40 0 GHABRN COc1cc(CNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc(OC)c1OC ZINC000219297989 570351944 /nfs/dbraw/zinc/35/19/44/570351944.db2.gz NKDQERKJOHKCPD-OAHLLOKOSA-N 0 0 387.476 3.920 40 0 GHABRN COc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)n2)c1 ZINC000219303942 570353018 /nfs/dbraw/zinc/35/30/18/570353018.db2.gz NFRPJQLOGCURGT-MRXNPFEDSA-N 0 0 395.459 3.754 40 0 GHABRN CC[C@@H](Oc1ccccc1C)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 ZINC000219315627 570354388 /nfs/dbraw/zinc/35/43/88/570354388.db2.gz DBBISKYABBYNQI-QGZVFWFLSA-N 0 0 381.432 3.527 40 0 GHABRN CCC[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000057670624 570368214 /nfs/dbraw/zinc/36/82/14/570368214.db2.gz QJRHLGZEORQVCT-OAQYLSRUSA-N 0 0 394.498 3.524 40 0 GHABRN CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 ZINC000219583299 570369886 /nfs/dbraw/zinc/36/98/86/570369886.db2.gz TWHYYWADFYIFLP-ZWKOTPCHSA-N 0 0 393.480 3.654 40 0 GHABRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc2c(c1)OCCO2 ZINC000408625745 570377056 /nfs/dbraw/zinc/37/70/56/570377056.db2.gz FKLWCTXHCOCFHG-UHFFFAOYSA-N 0 0 394.452 3.746 40 0 GHABRN CCSc1ccccc1NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220148358 570382783 /nfs/dbraw/zinc/38/27/83/570382783.db2.gz NMUNCJVUOGQXNR-HNNXBMFYSA-N 0 0 392.546 3.900 40 0 GHABRN CC[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220500651 570387495 /nfs/dbraw/zinc/38/74/95/570387495.db2.gz KPDQOTQNZISLSA-SFHVURJKSA-N 0 0 394.924 3.509 40 0 GHABRN CCOc1cccc(NC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)c1 ZINC000220518143 570387799 /nfs/dbraw/zinc/38/77/99/570387799.db2.gz OCQHPPWZMFTVOC-IBGZPJMESA-N 0 0 390.505 3.577 40 0 GHABRN CC(C)(C)c1ccc(OCCNC(=O)CCc2ccc3c(c2)OCCO3)cc1 ZINC000024616413 570388145 /nfs/dbraw/zinc/38/81/45/570388145.db2.gz ITWFMNZVMYOHHJ-UHFFFAOYSA-N 0 0 383.488 3.883 40 0 GHABRN CC[C@@H](C(=O)Nc1ccc(F)cc1F)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220568846 570388474 /nfs/dbraw/zinc/38/84/74/570388474.db2.gz YIRCRFIIBDUSKA-SFHVURJKSA-N 0 0 396.459 3.765 40 0 GHABRN COc1ccc(-c2nc(CC(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)cs2)cc1OC ZINC000032097145 570388823 /nfs/dbraw/zinc/38/88/23/570388823.db2.gz GJCIGNXQKSICTH-YCPHGPKFSA-N 0 0 384.501 3.698 40 0 GHABRN O=c1[nH]c2ccc(S(=O)(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2o1 ZINC000019936377 570406836 /nfs/dbraw/zinc/40/68/36/570406836.db2.gz ACSMAROJPNEFAS-UHFFFAOYSA-N 0 0 393.635 3.882 40 0 GHABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc21 ZINC000222385669 570409303 /nfs/dbraw/zinc/40/93/03/570409303.db2.gz JLOJGXONWYPHKH-SFHVURJKSA-N 0 0 390.483 3.690 40 0 GHABRN O=C(c1ccc(CN2CCCC2=O)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000025377381 570412218 /nfs/dbraw/zinc/41/22/18/570412218.db2.gz QWOMGTBDKLUSSD-UHFFFAOYSA-N 0 0 376.500 3.904 40 0 GHABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1Cl ZINC000222521929 570413288 /nfs/dbraw/zinc/41/32/88/570413288.db2.gz HYCRFPMSTNVDQZ-ZDUSSCGKSA-N 0 0 395.286 3.536 40 0 GHABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1C ZINC000222586698 570415662 /nfs/dbraw/zinc/41/56/62/570415662.db2.gz QSZGKUWCRLBEFJ-INIZCTEOSA-N 0 0 388.508 3.531 40 0 GHABRN CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cccc2ccccc21 ZINC000222620831 570417299 /nfs/dbraw/zinc/41/72/99/570417299.db2.gz NESAYPVAHSBDAV-INIZCTEOSA-N 0 0 394.446 3.521 40 0 GHABRN COc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000222635401 570418003 /nfs/dbraw/zinc/41/80/03/570418003.db2.gz WVAOHHQBLNHGOM-MRXNPFEDSA-N 0 0 381.881 3.713 40 0 GHABRN CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccncc2)c1C ZINC000222772844 570424907 /nfs/dbraw/zinc/42/49/07/570424907.db2.gz NGUFMXLWVIBMSX-LEWJYISDSA-N 0 0 391.544 3.936 40 0 GHABRN CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc3ccccc3c2)c(Cl)c1 ZINC000222794471 570426061 /nfs/dbraw/zinc/42/60/61/570426061.db2.gz ZUZHETINCWEUDY-UHFFFAOYSA-N 0 0 388.876 3.795 40 0 GHABRN CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000222789609 570426183 /nfs/dbraw/zinc/42/61/83/570426183.db2.gz DFTBNXGAGGXMQU-NRFANRHFSA-N 0 0 384.495 3.948 40 0 GHABRN COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c1 ZINC000007928123 570432804 /nfs/dbraw/zinc/43/28/04/570432804.db2.gz DAIIGOVGDANNAJ-CYBMUJFWSA-N 0 0 388.851 3.657 40 0 GHABRN CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222953919 570432948 /nfs/dbraw/zinc/43/29/48/570432948.db2.gz LLAJUBLIXAQMBJ-NRFANRHFSA-N 0 0 396.531 3.916 40 0 GHABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl ZINC000222978299 570434615 /nfs/dbraw/zinc/43/46/15/570434615.db2.gz DYXKNKDYIQCJQZ-OAHLLOKOSA-N 0 0 390.886 3.965 40 0 GHABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000222976472 570434637 /nfs/dbraw/zinc/43/46/37/570434637.db2.gz OBXCOKHFBVWRMW-HNNXBMFYSA-N 0 0 388.895 3.792 40 0 GHABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1cc(C)ccc1C ZINC000223001200 570436397 /nfs/dbraw/zinc/43/63/97/570436397.db2.gz RRJDDJHAPBCHQQ-HXUWFJFHSA-N 0 0 382.504 3.544 40 0 GHABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 ZINC000223002191 570436637 /nfs/dbraw/zinc/43/66/37/570436637.db2.gz SEYDNEJSFNOUIB-LJQANCHMSA-N 0 0 395.459 3.836 40 0 GHABRN Cc1ccccc1OCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000223094293 570442847 /nfs/dbraw/zinc/44/28/47/570442847.db2.gz DAFAEODYWMKFJP-IBGZPJMESA-N 0 0 396.531 3.748 40 0 GHABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)Cc2cccc(Cl)c2)c1 ZINC000027948422 570445705 /nfs/dbraw/zinc/44/57/05/570445705.db2.gz FDYXPRSOYIDJPK-UHFFFAOYSA-N 0 0 388.272 3.601 40 0 GHABRN O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Cn2ccnc2)cc1 ZINC000223177274 570448088 /nfs/dbraw/zinc/44/80/88/570448088.db2.gz GUIGOOUZZZPHDC-UHFFFAOYSA-N 0 0 393.834 3.565 40 0 GHABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C1CC1 ZINC000223300559 570456790 /nfs/dbraw/zinc/45/67/90/570456790.db2.gz LFNGBGOPMADCPB-IOMROCGXSA-N 0 0 396.560 3.986 40 0 GHABRN NC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)C1 ZINC000045887736 570458565 /nfs/dbraw/zinc/45/85/65/570458565.db2.gz ZWRSAVXLQLVEAP-SNVBAGLBSA-N 0 0 390.226 3.640 40 0 GHABRN COc1cc2nc(-c3ccc(-n4cnnc4)cc3O)oc2c(Br)c1 ZINC000045920471 570459251 /nfs/dbraw/zinc/45/92/51/570459251.db2.gz RQSJYWBGRXLSCD-UHFFFAOYSA-N 0 0 387.193 3.552 40 0 GHABRN CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)OCC(C)C)C3=O)c[nH]c21 ZINC000008088000 570459750 /nfs/dbraw/zinc/45/97/50/570459750.db2.gz QQIGVPOBRAXRQY-PXNMLYILSA-N 0 0 386.473 3.966 40 0 GHABRN CC(C)CNC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 ZINC000223350004 570460881 /nfs/dbraw/zinc/46/08/81/570460881.db2.gz MSJRHEKESIEOGU-UHFFFAOYSA-N 0 0 380.488 3.759 40 0 GHABRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1 ZINC000005948936 570462637 /nfs/dbraw/zinc/46/26/37/570462637.db2.gz RTVONPOGUQPFFL-UHFFFAOYSA-N 0 0 394.294 3.678 40 0 GHABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)c(C)n1C1CCCC1 ZINC000223573647 570471932 /nfs/dbraw/zinc/47/19/32/570471932.db2.gz XCWVXUGOSVXWQB-VQTJNVASSA-N 0 0 384.549 3.580 40 0 GHABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 ZINC000223578857 570472253 /nfs/dbraw/zinc/47/22/53/570472253.db2.gz NCZGQXAGVFKRSV-LJQANCHMSA-N 0 0 382.504 3.707 40 0 GHABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1Cl ZINC000223580833 570472300 /nfs/dbraw/zinc/47/23/00/570472300.db2.gz WKHOLPPPENVVIG-INIZCTEOSA-N 0 0 388.895 3.581 40 0 GHABRN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)c(C)n1C1CCCCC1 ZINC000223573815 570472381 /nfs/dbraw/zinc/47/23/81/570472381.db2.gz NMAHDNLUZZCWEW-RTWAWAEBSA-N 0 0 398.576 3.970 40 0 GHABRN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(CC)c2)ccc1Cl ZINC000223685868 570478817 /nfs/dbraw/zinc/47/88/17/570478817.db2.gz AICIMSQRZRHOCT-UHFFFAOYSA-N 0 0 397.880 3.889 40 0 GHABRN COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc(OC)c1O ZINC000138042329 570485557 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GHABRN CCOCc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)ccc1OCC ZINC000224699249 570525559 /nfs/dbraw/zinc/52/55/59/570525559.db2.gz CRQUUIYKASSZSZ-UHFFFAOYSA-N 0 0 398.503 3.593 40 0 GHABRN CCNC(=O)c1cc2cc(N(C)S(=O)(=O)c3ccc(F)cc3)ccc2s1 ZINC000028209018 570531338 /nfs/dbraw/zinc/53/13/38/570531338.db2.gz FVALFLJJQYASHH-UHFFFAOYSA-N 0 0 392.477 3.615 40 0 GHABRN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1cccc(C(F)(F)F)c1)C(=O)C2 ZINC000000947876 570534804 /nfs/dbraw/zinc/53/48/04/570534804.db2.gz ZLPFVDXUEVRGBT-ZBEGNZNMSA-N 0 0 375.412 3.843 40 0 GHABRN O=C1CS(=O)(=O)[C@H](c2ccc(Oc3ccccc3)cc2)N1c1ccccc1 ZINC000001088751 570537566 /nfs/dbraw/zinc/53/75/66/570537566.db2.gz LMMBPQKVWKAIGA-OAQYLSRUSA-N 0 0 379.437 3.939 40 0 GHABRN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)N2CCCC[C@H]2C)cc1C ZINC000001346405 570572300 /nfs/dbraw/zinc/57/23/00/570572300.db2.gz HDYJBAWOPWVCJF-MRXNPFEDSA-N 0 0 395.532 3.925 40 0 GHABRN O=C(Cc1ccccc1)Nc1cccn(Cc2ccccc2Br)c1=O ZINC000001354147 570573850 /nfs/dbraw/zinc/57/38/50/570573850.db2.gz OCQWNYHSALCLBX-UHFFFAOYSA-N 0 0 397.272 3.840 40 0 GHABRN Cc1ccc2cc(CN(Cc3ccco3)C(=O)C(F)(F)F)c(=O)[nH]c2c1C ZINC000001359440 570575701 /nfs/dbraw/zinc/57/57/01/570575701.db2.gz IVXJEWQYGQRSBP-UHFFFAOYSA-N 0 0 378.350 3.829 40 0 GHABRN CC[C@@H](C)NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)c(C)c1 ZINC000001362783 570577303 /nfs/dbraw/zinc/57/73/03/570577303.db2.gz IZNJCMAZNRPOMR-MRXNPFEDSA-N 0 0 395.532 3.953 40 0 GHABRN CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1ccc(Br)cc1)C(=O)C2 ZINC000001465714 570581079 /nfs/dbraw/zinc/58/10/79/570581079.db2.gz FLEWWQHYBILAML-ZBEGNZNMSA-N 0 0 386.311 3.586 40 0 GHABRN CCCCNC(=S)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000004132203 570617426 /nfs/dbraw/zinc/61/74/26/570617426.db2.gz DYUVCWNFFXUTKK-UHFFFAOYSA-N 0 0 399.516 3.807 40 0 GHABRN CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)[C@@H]3CCCO3)cc2c1 ZINC000004230982 570622199 /nfs/dbraw/zinc/62/21/99/570622199.db2.gz FRIYYANFUDTSNN-FQEVSTJZSA-N 0 0 396.512 3.860 40 0 GHABRN O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nccs1)OCc1ccccc1 ZINC000030813807 570624272 /nfs/dbraw/zinc/62/42/72/570624272.db2.gz MKCQRJHMQXXLRD-QGZVFWFLSA-N 0 0 381.457 3.619 40 0 GHABRN Cc1nc2sc3c(c2c2nnc(SCC(=O)OC(C)C)n21)CC[C@H](C)C3 ZINC000004848043 570634320 /nfs/dbraw/zinc/63/43/20/570634320.db2.gz MOQHPFNDQDASDX-JTQLQIEISA-N 0 0 390.534 3.816 40 0 GHABRN Cc1cc(C)cc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccncc2)c1 ZINC000004854886 570638369 /nfs/dbraw/zinc/63/83/69/570638369.db2.gz CDQGXVRONPDILH-UHFFFAOYSA-N 0 0 395.532 3.810 40 0 GHABRN Cc1occc1-c1nnc(SCC(=O)N2CCCC2)n1CCc1ccccc1 ZINC000004860240 570640188 /nfs/dbraw/zinc/64/01/88/570640188.db2.gz OOFDGPYQQPKZKV-UHFFFAOYSA-N 0 0 396.516 3.804 40 0 GHABRN CC(C)CCN(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1cccs1 ZINC000004890204 570644077 /nfs/dbraw/zinc/64/40/77/570644077.db2.gz FPDLQCKGORLAFW-OAHLLOKOSA-N 0 0 394.566 3.744 40 0 GHABRN COc1ccccc1CN(C)C(=O)COc1ccc(Br)c(C)c1 ZINC000044950167 570645759 /nfs/dbraw/zinc/64/57/59/570645759.db2.gz PHCZZJBVMFIMMG-UHFFFAOYSA-N 0 0 378.266 3.804 40 0 GHABRN COc1ccc(-c2cc3nc4c(c(NCCCn5ccnc5)n3n2)CCC4)cc1 ZINC000004902480 570647030 /nfs/dbraw/zinc/64/70/30/570647030.db2.gz YVSADOBJPLKOJU-UHFFFAOYSA-N 0 0 388.475 3.592 40 0 GHABRN O=C(NCc1nnc(-c2ccncc2)[nH]1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000005001912 570652188 /nfs/dbraw/zinc/65/21/88/570652188.db2.gz FHHBSJKNXRXEPQ-UHFFFAOYSA-N 0 0 396.760 3.861 40 0 GHABRN COc1cc(C(=O)NCc2cc3cc(Cl)ccc3n2C)cc(OC)c1OC ZINC000004973498 570655455 /nfs/dbraw/zinc/65/54/55/570655455.db2.gz RWCISMDEBAUDEW-UHFFFAOYSA-N 0 0 388.851 3.788 40 0 GHABRN O=C1[C@@H]2CCC[C@H]1[C@H](c1ccc3c(c1)OCO3)N[C@@H]2c1ccc2c(c1)OCO2 ZINC000005522420 570663609 /nfs/dbraw/zinc/66/36/09/570663609.db2.gz SUOGCSHCUPAGNZ-RWFYYTQISA-N 0 0 379.412 3.515 40 0 GHABRN O=c1c2sccc2n(CCOc2ccccc2)c(=O)n1CCc1ccccc1 ZINC000006679432 570674032 /nfs/dbraw/zinc/67/40/32/570674032.db2.gz GVBQTDZNCDVFRQ-UHFFFAOYSA-N 0 0 392.480 3.546 40 0 GHABRN Cc1sc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)N1CCCC1 ZINC000006679677 570674060 /nfs/dbraw/zinc/67/40/60/570674060.db2.gz BWQJYPRTPCTYTQ-UHFFFAOYSA-N 0 0 384.910 3.747 40 0 GHABRN CN(C)S(=O)(=O)c1csc(C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000006680254 570674362 /nfs/dbraw/zinc/67/43/62/570674362.db2.gz JJVAFCRCBITMFV-UHFFFAOYSA-N 0 0 379.290 3.558 40 0 GHABRN O=C(Nc1cccc(Cl)c1)c1cc(S(=O)(=O)N2CCCCC2)cs1 ZINC000006680483 570674495 /nfs/dbraw/zinc/67/44/95/570674495.db2.gz DVADGLXVCYDSMU-UHFFFAOYSA-N 0 0 384.910 3.828 40 0 GHABRN COc1cccc(NC(=O)CSc2nnc(C)n2-c2ccc(Cl)cc2)c1 ZINC000409102997 570699366 /nfs/dbraw/zinc/69/93/66/570699366.db2.gz CGUPEKXNBQABBC-UHFFFAOYSA-N 0 0 388.880 3.969 40 0 GHABRN CCNC(=S)Nc1nc(N2Cc3ccccc3C2)cc(N2CCC[C@H](C)C2)n1 ZINC000260742187 570702541 /nfs/dbraw/zinc/70/25/41/570702541.db2.gz TXAPJGAHXJOVHO-HNNXBMFYSA-N 0 0 396.564 3.539 40 0 GHABRN Cc1ccc(N([C@H](C)C(=O)NCc2cccc3ccccc32)S(C)(=O)=O)cc1 ZINC000260828939 570708848 /nfs/dbraw/zinc/70/88/48/570708848.db2.gz GAAHOAYVXUEYEF-QGZVFWFLSA-N 0 0 396.512 3.619 40 0 GHABRN CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c1 ZINC000260918024 570714497 /nfs/dbraw/zinc/71/44/97/570714497.db2.gz KSMDJCZYDCPKAO-BHIYHBOVSA-N 0 0 384.549 3.790 40 0 GHABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 ZINC000005880103 570735277 /nfs/dbraw/zinc/73/52/77/570735277.db2.gz CBHOBWCOTVBGBA-UHFFFAOYSA-N 0 0 396.468 3.677 40 0 GHABRN Cc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000006270339 570740328 /nfs/dbraw/zinc/74/03/28/570740328.db2.gz PWIOLBNPYFYFFA-UHFFFAOYSA-N 0 0 396.468 3.813 40 0 GHABRN Cc1cc(OCC(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)ccc1Cl ZINC000006500922 570746826 /nfs/dbraw/zinc/74/68/26/570746826.db2.gz QRAPJMZJBCYYTM-UHFFFAOYSA-N 0 0 392.952 3.987 40 0 GHABRN CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)cc1 ZINC000006650940 570748619 /nfs/dbraw/zinc/74/86/19/570748619.db2.gz HONRYQVHTYNZMH-WJDWOHSUSA-N 0 0 377.462 3.853 40 0 GHABRN CCC[C@@H](C)NC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccccc1 ZINC000006945302 570750883 /nfs/dbraw/zinc/75/08/83/570750883.db2.gz KJYCNVMRJZOYTH-QGZVFWFLSA-N 0 0 388.533 3.749 40 0 GHABRN Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccs2)cc1 ZINC000006959491 570753692 /nfs/dbraw/zinc/75/36/92/570753692.db2.gz ITDXVMQVYDRFNR-UHFFFAOYSA-N 0 0 384.530 3.816 40 0 GHABRN CC[C@@](Br)([C@@H](O)c1ccc(Cl)cc1Cl)S(=O)(=O)CC ZINC000096521711 570755176 /nfs/dbraw/zinc/75/51/76/570755176.db2.gz LDDAAYKPPKKIGU-RYUDHWBXSA-N 0 0 390.126 3.963 40 0 GHABRN COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccc(F)cc1 ZINC000007218139 570756882 /nfs/dbraw/zinc/75/68/82/570756882.db2.gz SXSIPDPBUDBJFM-SNVBAGLBSA-N 0 0 388.258 3.636 40 0 GHABRN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000007495531 570759127 /nfs/dbraw/zinc/75/91/27/570759127.db2.gz QRJCHWIISZIMMZ-QGZVFWFLSA-N 0 0 389.455 3.726 40 0 GHABRN COc1ccc([C@@H]2N=C(Nc3cccc(C)c3C)Nc3nc(C)cc(=O)n32)cc1 ZINC000007495777 570759611 /nfs/dbraw/zinc/75/96/11/570759611.db2.gz MUTMVQFQVZPEHR-HXUWFJFHSA-N 0 0 389.459 3.618 40 0 GHABRN Cc1nc(NC(=O)COc2ccc(Cl)cc2Cl)nc2c1C(=O)C[C@@H](C)C2 ZINC000013636171 570765140 /nfs/dbraw/zinc/76/51/40/570765140.db2.gz 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QCGOECJQBWOKQA-UHFFFAOYSA-N 0 0 388.489 3.656 40 0 GHABRN CCN(CC)C(=O)C[C@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21 ZINC000096053054 535442375 /nfs/dbraw/zinc/44/23/75/535442375.db2.gz XKBKBCMKNFPQII-SFHVURJKSA-N 0 0 378.520 3.761 40 0 GHABRN O=C(c1cccs1)N1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000049171040 560084496 /nfs/dbraw/zinc/08/44/96/560084496.db2.gz RXQTVRRFHDZGQS-ZDUSSCGKSA-N 0 0 378.457 3.833 40 0 biogenic,in-vitro GHABRN O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)N(Cc2ccccc2)C1 ZINC000015675084 560095788 /nfs/dbraw/zinc/09/57/88/560095788.db2.gz UDBHPGCIHIMUQQ-AEFFLSMTSA-N 0 0 387.842 3.761 40 0 biogenic,in-vitro GHABRN Cc1ccc2[nH]c(Cc3ccc(NC(=O)Cc4nnc(C(C)C)[nH]4)cc3)nc2c1 ZINC000019718513 570209847 /nfs/dbraw/zinc/20/98/47/570209847.db2.gz DHPVSOOKXJFNDL-UHFFFAOYSA-N 0 0 388.475 3.885 40 0 GHABRN CCc1nc(NC(=O)CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)sc1C ZINC000019719820 570210918 /nfs/dbraw/zinc/21/09/18/570210918.db2.gz NGVJKFOLMPYXNY-OAHLLOKOSA-N 0 0 397.548 3.783 40 0 GHABRN Fc1ccc(F)c(Nc2cc(-c3ccncc3)nc(NC3CCCC3)n2)c1F ZINC000329015400 570212445 /nfs/dbraw/zinc/21/24/45/570212445.db2.gz NAPRSZOZALKNOC-UHFFFAOYSA-N 0 0 385.393 3.898 40 0 GHABRN CC(C)Nc1nc(Nc2ccc(F)cc2Br)cc(C(F)(F)F)n1 ZINC000329018342 570212605 /nfs/dbraw/zinc/21/26/05/570212605.db2.gz NPXSGGSHWHDFFF-UHFFFAOYSA-N 0 0 393.182 3.805 40 0 GHABRN CCCn1ncc2ccc([C@H]3CCCN(C(=O)COc4ccccc4)C3)nc21 ZINC000019744516 570213171 /nfs/dbraw/zinc/21/31/71/570213171.db2.gz HJAUPJJGJWYOJU-SFHVURJKSA-N 0 0 378.476 3.626 40 0 GHABRN COc1cccc(CNC(=O)c2cc3c(s2)CCN3C(=O)c2ccccc2)c1 ZINC000096146786 570214177 /nfs/dbraw/zinc/21/41/77/570214177.db2.gz NQDGFRJPCPWVFC-UHFFFAOYSA-N 0 0 392.480 3.890 40 0 GHABRN Cc1ccc(Nc2cc(-c3ccccn3)nc(NC3CC3)n2)c(Br)c1 ZINC000329047166 570214948 /nfs/dbraw/zinc/21/49/48/570214948.db2.gz UEYYCRQORVJFRR-UHFFFAOYSA-N 0 0 396.292 3.771 40 0 GHABRN CNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2cccnc2)n1 ZINC000329068270 570216432 /nfs/dbraw/zinc/21/64/32/570216432.db2.gz YNZFVDGXPABHKB-UHFFFAOYSA-N 0 0 379.773 3.840 40 0 GHABRN CCc1ccc(NC(=O)N2C[C@H]3[C@H](CC[C@@]34N=C(C)N(CC3CC3)C4=O)C2)cc1 ZINC000096261473 570225955 /nfs/dbraw/zinc/22/59/55/570225955.db2.gz DVQNJBBDJAAFAV-QMHWCDLVSA-N 0 0 394.519 3.532 40 0 GHABRN Cc1ccccc1OCc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)o1 ZINC000000875867 570227744 /nfs/dbraw/zinc/22/77/44/570227744.db2.gz CLFNYWOHXIHOCW-HUUCEWRRSA-N 0 0 375.494 3.839 40 0 GHABRN COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cc3ccccc3oc2=O)c1 ZINC000000908115 570229579 /nfs/dbraw/zinc/22/95/79/570229579.db2.gz RMXLRJIDUXORBX-LJQANCHMSA-N 0 0 393.439 3.623 40 0 GHABRN COc1ccc([C@H](C)NS(=O)(=O)c2cc(C(C)C)ccc2OC)cc1OC ZINC000020030033 570235829 /nfs/dbraw/zinc/23/58/29/570235829.db2.gz SLOYVKNSOVXFGN-AWEZNQCLSA-N 0 0 393.505 3.875 40 0 GHABRN CCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000020104349 570239559 /nfs/dbraw/zinc/23/95/59/570239559.db2.gz SMEADZQYQVTUQE-UHFFFAOYSA-N 0 0 393.823 3.795 40 0 GHABRN COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Sc2ccc(OC)cc2)cc1 ZINC000020111230 570241058 /nfs/dbraw/zinc/24/10/58/570241058.db2.gz XQQSFZCCVLDHKQ-HUUCEWRRSA-N 0 0 375.490 3.768 40 0 GHABRN Cc1ccccc1OC[C@@]1(O)CCCN(C(=O)c2cccc3cccnc32)C1 ZINC000585277364 570244873 /nfs/dbraw/zinc/24/48/73/570244873.db2.gz VLIVYXCUKGOFNL-HSZRJFAPSA-N 0 0 376.456 3.589 40 0 GHABRN CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(c2ccccc2OC)CC1 ZINC000020488399 570262484 /nfs/dbraw/zinc/26/24/84/570262484.db2.gz SORMWYINMOCBHT-SFHVURJKSA-N 0 0 388.895 3.855 40 0 GHABRN COc1cc(OC)c([C@@H]2C[C@@](C)(OC)Oc3cc4c(cc32)OCO4)c(OC)c1 ZINC000001611566 570265674 /nfs/dbraw/zinc/26/56/74/570265674.db2.gz HWYLZHKWPDVNBJ-SZNDQCEHSA-N 0 0 388.416 3.718 40 0 GHABRN CCOP(=O)(OCC)O[C@H]1c2[nH]ccc2-c2cc(C(=O)OC)[nH]c2[C@H]1OC ZINC000001647568 570266797 /nfs/dbraw/zinc/26/67/97/570266797.db2.gz DIKOMQSMOOPQHM-CVEARBPZSA-N 0 0 398.352 3.736 40 0 GHABRN CCOC(=O)N1N=N[C@@H](c2ccccc2)[C@@]1(c1ccccc1)N1CCOCC1 ZINC000001720271 570267451 /nfs/dbraw/zinc/26/74/51/570267451.db2.gz AAOMVLZPTXZACL-FPOVZHCZSA-N 0 0 380.448 3.752 40 0 GHABRN COc1ccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 ZINC000020610969 570272116 /nfs/dbraw/zinc/27/21/16/570272116.db2.gz FATMBWRTUHTTFB-UHFFFAOYSA-N 0 0 388.427 3.755 40 0 GHABRN CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000020765833 570283402 /nfs/dbraw/zinc/28/34/02/570283402.db2.gz BLWFCJSIYWHXHT-MRXNPFEDSA-N 0 0 386.517 3.747 40 0 GHABRN [NH3+]Cc1ccc([C@H](C(=O)[O-])C(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000071791532 570287430 /nfs/dbraw/zinc/28/74/30/570287430.db2.gz LJQDBLIKMVAQFE-JOCHJYFZSA-N 0 0 387.435 3.669 40 0 GHABRN CCOC(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3C)n2)cc1 ZINC000216051577 570295318 /nfs/dbraw/zinc/29/53/18/570295318.db2.gz YCVVCGTYILSVDS-UHFFFAOYSA-N 0 0 396.472 3.688 40 0 GHABRN Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 ZINC000022328651 570313536 /nfs/dbraw/zinc/31/35/36/570313536.db2.gz WFTJNLUXIJRRFX-GOSISDBHSA-N 0 0 388.533 3.564 40 0 GHABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2Br)cc1 ZINC000072211621 570313682 /nfs/dbraw/zinc/31/36/82/570313682.db2.gz RUKVNLYIUSJTDK-HNNXBMFYSA-N 0 0 381.295 3.678 40 0 GHABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2N2CCCCC2)cc1 ZINC000072216111 570316978 /nfs/dbraw/zinc/31/69/78/570316978.db2.gz WOAJVYPLBBPYMF-HXUWFJFHSA-N 0 0 385.533 3.906 40 0 GHABRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cnc(N3CCCC3)c(C)c2)cc1 ZINC000072218810 570317896 /nfs/dbraw/zinc/31/78/96/570317896.db2.gz QBLFSAOAUCLTPP-FQEVSTJZSA-N 0 0 385.533 3.824 40 0 GHABRN Cc1cc(C)cc(OCCNC(=O)c2ccc(I)cc2)c1 ZINC000022480097 570318364 /nfs/dbraw/zinc/31/83/64/570318364.db2.gz SIGMDNZFMKUDQK-UHFFFAOYSA-N 0 0 395.240 3.717 40 0 GHABRN N[C@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227324 570318891 /nfs/dbraw/zinc/31/88/91/570318891.db2.gz PKKVKQNBXWEMAA-ZIAGYGMSSA-N 0 0 385.183 3.883 40 0 GHABRN Cc1ccc(C)c(N(CC(=O)Nc2cc(Cl)ccc2C)S(C)(=O)=O)c1 ZINC000044791228 570322085 /nfs/dbraw/zinc/32/20/85/570322085.db2.gz QLYFHLCKIGGDHF-UHFFFAOYSA-N 0 0 380.897 3.670 40 0 GHABRN Cc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(C)(=O)=O)cc1C ZINC000044791263 570322180 /nfs/dbraw/zinc/32/21/80/570322180.db2.gz JEPKUJKGHXQZPW-UHFFFAOYSA-N 0 0 380.897 3.670 40 0 GHABRN CCOC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000113883466 570334633 /nfs/dbraw/zinc/33/46/33/570334633.db2.gz JZLSKUICMHZHMG-UHFFFAOYSA-N 0 0 388.272 3.752 40 0 GHABRN CC[C@@H](C(=O)NCc1cccc(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000113945709 570335360 /nfs/dbraw/zinc/33/53/60/570335360.db2.gz HKZDCAWHOWZUFO-SFHVURJKSA-N 0 0 394.924 3.509 40 0 GHABRN O=C(NCCCN1CCOCC1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000408573924 570341871 /nfs/dbraw/zinc/34/18/71/570341871.db2.gz FNFOCCDZYQIBER-LVZFUZTISA-N 0 0 384.907 3.719 40 0 GHABRN CCc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21NCCO1 ZINC000022362804 570343225 /nfs/dbraw/zinc/34/32/25/570343225.db2.gz VLKMYKHTGWTPPD-RPWUZVMVSA-N 0 0 376.500 3.857 40 0 GHABRN CC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(OC)c(OC)c1 ZINC000219216269 570349979 /nfs/dbraw/zinc/34/99/79/570349979.db2.gz YCHCJQILFHUFCS-SFHVURJKSA-N 0 0 382.460 3.712 40 0 GHABRN Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(CN2CCOCC2)c1 ZINC000219246688 570350409 /nfs/dbraw/zinc/35/04/09/570350409.db2.gz ZDHHACKJLXFTFK-NRFANRHFSA-N 0 0 394.515 3.859 40 0 GHABRN CN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc(F)cc1 ZINC000219264488 570350671 /nfs/dbraw/zinc/35/06/71/570350671.db2.gz OLTYWLICNGLDDB-UHFFFAOYSA-N 0 0 377.466 3.829 40 0 GHABRN CC[C@@H](Oc1ccccc1C)C(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000219315965 570354437 /nfs/dbraw/zinc/35/44/37/570354437.db2.gz BTQJVHKLELDYLF-GOSISDBHSA-N 0 0 395.459 3.870 40 0 GHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1nc(-c2cccc(C)c2)no1 ZINC000219362087 570356864 /nfs/dbraw/zinc/35/68/64/570356864.db2.gz MYTODDJMZABLOA-GOSISDBHSA-N 0 0 381.432 3.527 40 0 GHABRN Cc1cccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000260593232 570359246 /nfs/dbraw/zinc/35/92/46/570359246.db2.gz ZLJCXEDONXABKO-QZTJIDSGSA-N 0 0 388.533 3.644 40 0 GHABRN O=C(Nc1ccc(Cl)cc1)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 ZINC000102674437 570380218 /nfs/dbraw/zinc/38/02/18/570380218.db2.gz LMWQSLDJOFGWBI-GASCZTMLSA-N 0 0 396.878 3.890 40 0 GHABRN Cc1cccc(N([C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)c1 ZINC000220129954 570382546 /nfs/dbraw/zinc/38/25/46/570382546.db2.gz XIWZYDUQOOBBJQ-GFCCVEGCSA-N 0 0 384.860 3.581 40 0 GHABRN CC[C@H](NC(=O)[C@@H](C)N(c1cccc(C)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000220147113 570382632 /nfs/dbraw/zinc/38/26/32/570382632.db2.gz BXUWJAWVEIDVFQ-XLIONFOSSA-N 0 0 388.533 3.725 40 0 GHABRN CCc1ccc(N([C@H](C)C(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000220262301 570383707 /nfs/dbraw/zinc/38/37/07/570383707.db2.gz DLDDMWOWEBHRMG-CYBMUJFWSA-N 0 0 380.897 3.696 40 0 GHABRN CCc1ccc(N([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)cc1 ZINC000220274868 570384284 /nfs/dbraw/zinc/38/42/84/570384284.db2.gz KYLPYYYAYUEBHJ-QGZVFWFLSA-N 0 0 388.533 3.967 40 0 GHABRN CCOC(=O)COc1ccccc1/C=C1/S/C(=N\C(C)C)N(C(C)C)C1=O ZINC000006955117 570399843 /nfs/dbraw/zinc/39/98/43/570399843.db2.gz MRFHSVWTGDYHQT-OUYOUGTCSA-N 0 0 390.505 3.718 40 0 GHABRN CCCCNC(=O)c1cccc(S(=O)(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1 ZINC000032996161 570400092 /nfs/dbraw/zinc/40/00/92/570400092.db2.gz UWOZITOJASJEQZ-UWJYYQICSA-N 0 0 392.565 3.806 40 0 GHABRN Cc1ccc(C)c([C@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 ZINC000222499874 570412650 /nfs/dbraw/zinc/41/26/50/570412650.db2.gz IZTNQPKOGNQJDO-AWEZNQCLSA-N 0 0 394.924 3.844 40 0 GHABRN CCc1cccc(C)c1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl ZINC000222515156 570413239 /nfs/dbraw/zinc/41/32/39/570413239.db2.gz HZEPQJUZJUJPBC-UHFFFAOYSA-N 0 0 380.897 3.859 40 0 GHABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1cccc(Cl)c1 ZINC000222532868 570413491 /nfs/dbraw/zinc/41/34/91/570413491.db2.gz VMGZNXOJDFWHTG-ZDUSSCGKSA-N 0 0 395.286 3.536 40 0 GHABRN CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc21 ZINC000222653875 570418744 /nfs/dbraw/zinc/41/87/44/570418744.db2.gz IVRPBSXZADRIJA-UHFFFAOYSA-N 0 0 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3.624 40 0 GHABRN CCc1ccc2c(c1)c1nnc(SCC(=O)NC3CCCCC3)nc1n2C ZINC000035312717 204166819 /nfs/dbraw/zinc/16/68/19/204166819.db2.gz BIPSRXMPWYUSHE-UHFFFAOYSA-N 0 0 383.521 3.620 40 0 GHABRN CC(C)O[C@H]1[C@H]2OC3(CCCCC3)O[C@@H]2O[C@H]1[C@@H]1COC2(CCCCC2)O1 ZINC000005381364 204129784 /nfs/dbraw/zinc/12/97/84/204129784.db2.gz UDCFLSZANCKOQT-QTMHVTGLSA-N 0 0 382.497 3.657 40 0 GHABRN CCOC(=O)c1sc2c(c1NC(=S)NC(=O)c1ccccc1)CCCC2 ZINC000005473856 204134936 /nfs/dbraw/zinc/13/49/36/204134936.db2.gz XVNUBUHZUXRNOG-UHFFFAOYSA-N 0 0 388.514 3.930 40 0 GHABRN COC(=O)c1ccc(/C=C2/SC(=O)N(CNc3ccccc3C)C2=O)cc1 ZINC000035339634 204169733 /nfs/dbraw/zinc/16/97/33/204169733.db2.gz IQCFWBKKIFJGSI-GZTJUZNOSA-N 0 0 382.441 3.888 40 0 GHABRN Cc1ccc(C(=O)N[S@@](=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000006211537 204171234 /nfs/dbraw/zinc/17/12/34/204171234.db2.gz MABLENRTHWMZLL-MUUNZHRXSA-N 0 0 393.468 3.668 40 0 GHABRN COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 ZINC000006269802 204172385 /nfs/dbraw/zinc/17/23/85/204172385.db2.gz PKWRLUDBIWEUGU-UHFFFAOYSA-N 0 0 396.468 3.677 40 0 GHABRN Cc1nc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc2ccccc12 ZINC000006399631 204177594 /nfs/dbraw/zinc/17/75/94/204177594.db2.gz FBNIIDAJBIHIEE-UHFFFAOYSA-N 0 0 396.491 3.518 40 0 GHABRN COCCNc1cc(-c2noc([C@@H]3CCCN3Cc3ccccc3F)n2)ccn1 ZINC000035424547 204191573 /nfs/dbraw/zinc/19/15/73/204191573.db2.gz GPPMPMDDRJBSCP-SFHVURJKSA-N 0 0 397.454 3.666 40 0 biogenic,in-vitro GHABRN COc1ccc(C2=NO[C@H](C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)C2)cc1OC ZINC000006738568 204197208 /nfs/dbraw/zinc/19/72/08/204197208.db2.gz YLYXNLWJZSDRHL-OHEPNIRZSA-N 0 0 386.492 3.624 40 0 GHABRN CCOc1cc(C=C2SC(=O)NC2=O)ccc1OC(=O)c1cccc(C)c1 ZINC000006960228 204227947 /nfs/dbraw/zinc/22/79/47/204227947.db2.gz UOGLYMDFBCVKJT-GZTJUZNOSA-N 0 0 383.425 3.937 40 0 GHABRN O=C(COc1ccc(I)cc1)Nc1cccc(Cl)c1 ZINC000007034772 204231138 /nfs/dbraw/zinc/23/11/38/204231138.db2.gz KAXCQOFCSJINLN-UHFFFAOYSA-N 0 0 387.604 3.962 40 0 GHABRN CCOc1ccc(NC(=O)Cc2sc(Nc3ccc(C)cc3)nc2O)cc1 ZINC000007127539 204233671 /nfs/dbraw/zinc/23/36/71/204233671.db2.gz WPVLIEHYDCXZJG-KRWDZBQOSA-N 0 0 383.473 3.832 40 0 GHABRN Cc1cc(C)c(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c(C)c1 ZINC000007872060 204253422 /nfs/dbraw/zinc/25/34/22/204253422.db2.gz HEKQOUZGUUQAOJ-HNNXBMFYSA-N 0 0 378.469 3.544 40 0 GHABRN Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000007977232 204256118 /nfs/dbraw/zinc/25/61/18/204256118.db2.gz AHLZSOWITVCJKX-UHFFFAOYSA-N 0 0 398.459 3.865 40 0 GHABRN CSc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3)[C@H](C)Nc3ncnn32)cc1 ZINC000036701663 204325256 /nfs/dbraw/zinc/32/52/56/204325256.db2.gz YJVFSZXYNJBFPS-KKXDTOCCSA-N 0 0 379.489 3.658 40 0 GHABRN O=S(=O)(c1cc(Br)c2cccc3c2c1CCC3)N1CCCC1 ZINC000011565939 204348042 /nfs/dbraw/zinc/34/80/42/204348042.db2.gz OOBGMOMUKMXRHA-UHFFFAOYSA-N 0 0 380.307 3.876 40 0 GHABRN CCn1ncc(C(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c1C ZINC000012117280 204371812 /nfs/dbraw/zinc/37/18/12/204371812.db2.gz NVYAJKOWAGPJHQ-UHFFFAOYSA-N 0 0 375.476 3.559 40 0 GHABRN COc1ccc(OC)c(-c2cc(C(=O)N3CCn4cccc4[C@H]3C(C)C)[nH]n2)c1 ZINC000012116942 204371827 /nfs/dbraw/zinc/37/18/27/204371827.db2.gz YYOJZWHDWUCOCK-OAQYLSRUSA-N 0 0 394.475 3.749 40 0 GHABRN Cc1cc(N2CCCC2)ccc1-c1nc2cnccn2c1NC[C@@H]1CCCO1 ZINC000012113911 204372098 /nfs/dbraw/zinc/37/20/98/204372098.db2.gz KPYCQVBBKASPRS-SFHVURJKSA-N 0 0 377.492 3.896 40 0 GHABRN O=C(NCc1nnc(-c2ccncc2)[nH]1)[C@@H](c1ccccc1)C1CCCCC1 ZINC000012114803 204372701 /nfs/dbraw/zinc/37/27/01/204372701.db2.gz XBOYERPEPXRCGC-FQEVSTJZSA-N 0 0 375.476 3.847 40 0 GHABRN Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000012457433 204413315 /nfs/dbraw/zinc/41/33/15/204413315.db2.gz ZRTGOGGTUZPAJT-SXKCSBRWSA-N 0 0 387.911 3.851 40 0 GHABRN C[C@@]1(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)CC(c2ccccc2F)=NO1 ZINC000012193025 204381217 /nfs/dbraw/zinc/38/12/17/204381217.db2.gz ZERYKTGIFSHPQO-NRFANRHFSA-N 0 0 396.397 3.731 40 0 GHABRN CC(=O)N1c2ccc(NC(=O)c3c(C)onc3-c3ccncc3)cc2C[C@@H]1C ZINC000012204347 204382406 /nfs/dbraw/zinc/38/24/06/204382406.db2.gz ZQPYJONGXPUAAT-LBPRGKRZSA-N 0 0 376.416 3.595 40 0 GHABRN COc1ccc(-c2nc(NCCCc3ccccn3)ncc2-c2ncc[nH]2)cc1 ZINC000012221397 204384987 /nfs/dbraw/zinc/38/49/87/204384987.db2.gz JWACEGVTMXXAFU-UHFFFAOYSA-N 0 0 386.459 3.982 40 0 GHABRN CCOc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cnc(C(C)(C)C)nc1)CC3 ZINC000012290562 204389880 /nfs/dbraw/zinc/38/98/80/204389880.db2.gz CDFNALXBWXCUSL-UHFFFAOYSA-N 0 0 378.476 3.853 40 0 GHABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccncc3)cc2n1 ZINC000012276527 204389967 /nfs/dbraw/zinc/38/99/67/204389967.db2.gz JHWJWDABEPDKBU-HNNXBMFYSA-N 0 0 389.381 3.683 40 0 GHABRN COc1ccc2cc(C(=O)N3CCC(O)(c4ccccc4C)CC3)n(C)c2c1 ZINC000012325366 204397730 /nfs/dbraw/zinc/39/77/30/204397730.db2.gz DNHVMRQJBWLADV-UHFFFAOYSA-N 0 0 378.472 3.619 40 0 GHABRN Cc1cc(C)cc(C(=O)N[C@H](c2ccncc2)[C@H]2N=C(c3ccccc3)OC2=O)c1 ZINC000013221059 204484384 /nfs/dbraw/zinc/48/43/84/204484384.db2.gz PJBOZNLUGFDVBU-NHCUHLMSSA-N 0 0 399.450 3.542 40 0 GHABRN COc1ccc(CCCNC(=O)c2ccc(I)cc2)cc1 ZINC000013632580 204499055 /nfs/dbraw/zinc/49/90/55/204499055.db2.gz WWXRNUSNXATHHE-UHFFFAOYSA-N 0 0 395.240 3.662 40 0 GHABRN CC[C@H](C(=O)Nc1cccc(Cl)c1C)N(c1ccccc1)S(C)(=O)=O ZINC000013711256 204505557 /nfs/dbraw/zinc/50/55/57/204505557.db2.gz FNROYACPSUKIAE-QGZVFWFLSA-N 0 0 380.897 3.832 40 0 GHABRN O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 ZINC000014051827 204520608 /nfs/dbraw/zinc/52/06/08/204520608.db2.gz LVTAACMWDCIZET-UHFFFAOYSA-N 0 0 398.459 3.599 40 0 GHABRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc2c(c1)ncn2CCc1ccccc1 ZINC000017750668 204613496 /nfs/dbraw/zinc/61/34/96/204613496.db2.gz GXJOIZLVNFTKSN-YVCBRDFCSA-N 0 0 383.451 3.591 40 0 GHABRN O=C(CCCc1nc(-c2cccnc2)no1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000019370558 204639422 /nfs/dbraw/zinc/63/94/22/204639422.db2.gz ZXXOPNIIMPHHRU-IBGZPJMESA-N 0 0 390.487 3.936 40 0 GHABRN CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N[C@@H](C)Cc3ccccn3)cc2N1 ZINC000019451162 204642764 /nfs/dbraw/zinc/64/27/64/204642764.db2.gz KVVLHVABVJRWJD-DUVNUKRYSA-N 0 0 395.429 3.583 40 0 GHABRN CCNC(=O)[C@@]1(Cc2cccc(-c3ccc(C)cc3)c2)CCN(C(=O)CC)C1 ZINC000019498432 204646945 /nfs/dbraw/zinc/64/69/45/204646945.db2.gz DQUXAUUULSDISP-XMMPIXPASA-N 0 0 378.516 3.969 40 0 GHABRN CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C4CC4)C3)cc2N1 ZINC000019083368 204624839 /nfs/dbraw/zinc/62/48/39/204624839.db2.gz IPMOUZKEFHATNS-VHDGCEQUSA-N 0 0 384.446 3.943 40 0 GHABRN Cc1ccc(-c2ccccc2C[C@@H]2CN(C(=O)C3CCCC3)CCNC2=O)cc1 ZINC000019212834 204629013 /nfs/dbraw/zinc/62/90/13/204629013.db2.gz NRELDPBMKDURQW-JOCHJYFZSA-N 0 0 390.527 3.969 40 0 GHABRN CNC(=O)[C@]1(Cc2ccc(-c3ccc(C)cc3)cc2)CCCN(C(=O)C2CC2)C1 ZINC000019212337 204629200 /nfs/dbraw/zinc/62/92/00/204629200.db2.gz KGRBRXPBVRAKNA-VWLOTQADSA-N 0 0 390.527 3.969 40 0 GHABRN CCCC(=O)N1CCN(C)C(=O)[C@H](Cc2cccc(-c3cccc(OC)c3)c2)C1 ZINC000019501436 204649847 /nfs/dbraw/zinc/64/98/47/204649847.db2.gz FSAOGJCCMWPCIX-OAQYLSRUSA-N 0 0 394.515 3.622 40 0 GHABRN Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H](COc3ccc(F)cc3)C2)c(C)c1C ZINC000019556706 204654039 /nfs/dbraw/zinc/65/40/39/204654039.db2.gz WWODLUYKVWOGEA-HNAYVOBHSA-N 0 0 387.499 3.901 40 0 GHABRN COCc1nn2c(nnc(C(=O)Nc3ccc(F)cc3)c2C)c1-c1ccccc1 ZINC000021006119 204750517 /nfs/dbraw/zinc/75/05/17/204750517.db2.gz VJQPDZPNXDSXAT-UHFFFAOYSA-N 0 0 391.406 3.638 40 0 GHABRN CN(Cc1ccc(C(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccccc1 ZINC000025811522 204836288 /nfs/dbraw/zinc/83/62/88/204836288.db2.gz MNRMJFLWLMNRKY-UHFFFAOYSA-N 0 0 380.469 3.760 40 0 GHABRN Cc1ccc([C@H](C)NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 ZINC000038754832 205038813 /nfs/dbraw/zinc/03/88/13/205038813.db2.gz UMIYSCOIFQNQSS-HNNXBMFYSA-N 0 0 394.924 3.600 40 0 GHABRN O=C(C[C@H]1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1cccc(Cl)c1 ZINC000039964107 205044783 /nfs/dbraw/zinc/04/47/83/205044783.db2.gz OEBJGSYAZKEWQR-KRWDZBQOSA-N 0 0 380.835 3.769 40 0 GHABRN COc1cccc(-c2c3c(ccn([C@@H]4CCCC[C@H]4C)c3=O)nc3ncnn32)c1 ZINC000040398235 205064161 /nfs/dbraw/zinc/06/41/61/205064161.db2.gz GBUVEDYQWHPAJD-RDTXWAMCSA-N 0 0 389.459 3.866 40 0 GHABRN CCOc1ccc(CNC(=O)c2ccc(Cn3ccnc3)cc2)cc1OCC ZINC000044905203 205089523 /nfs/dbraw/zinc/08/95/23/205089523.db2.gz DJQDWOISZCTMHG-UHFFFAOYSA-N 0 0 379.460 3.659 40 0 GHABRN CCOc1ccc(C(=O)CSc2nnnn2-c2c(C)cc(C)cc2C)cc1 ZINC000041124450 205078049 /nfs/dbraw/zinc/07/80/49/205078049.db2.gz CLEMMQPPUAUBDI-UHFFFAOYSA-N 0 0 382.489 3.961 40 0 GHABRN CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000056174105 205151894 /nfs/dbraw/zinc/15/18/94/205151894.db2.gz SEKHDUPPGLSYFZ-UHFFFAOYSA-N 0 0 379.460 3.594 40 0 GHABRN Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccco4)C[C@@H]3C(C)C)[nH]n2)o1 ZINC000072324118 205324656 /nfs/dbraw/zinc/32/46/56/205324656.db2.gz ZOWOQVIGSDWWEY-LJQANCHMSA-N 0 0 382.464 3.554 40 0 GHABRN CC(C)c1nccn1-c1nccnc1[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000072350538 205331013 /nfs/dbraw/zinc/33/10/13/205331013.db2.gz FSMUCYKYXHPIGD-KRWDZBQOSA-N 0 0 393.466 3.945 40 0 GHABRN O=C(c1ccc(=O)[nH]c1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072349905 205331240 /nfs/dbraw/zinc/33/12/40/205331240.db2.gz VSTYGAVUSKDCKE-KRWDZBQOSA-N 0 0 377.419 3.596 40 0 GHABRN Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2ccc(Nc3ncccc3C)cn2)C1 ZINC000072353338 205332322 /nfs/dbraw/zinc/33/23/22/205332322.db2.gz SFTXCXFVVJCOHK-QGZVFWFLSA-N 0 0 390.491 3.590 40 0 GHABRN Cc1cc(Cc2ccccc2F)cc([C@H]2CCCN(C(=O)c3nccn3C)C2)n1 ZINC000072356220 205332658 /nfs/dbraw/zinc/33/26/58/205332658.db2.gz RKLSZWCXJVXZAC-IBGZPJMESA-N 0 0 392.478 3.873 40 0 GHABRN O=C(c1ccncc1)N1CCC[C@H](c2cncc(Oc3cccc(F)c3)n2)C1 ZINC000072362119 205333700 /nfs/dbraw/zinc/33/37/00/205333700.db2.gz YTJBQTDHIJNDKW-INIZCTEOSA-N 0 0 378.407 3.823 40 0 GHABRN COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)Cc2cccnc2)n1 ZINC000072357913 205334937 /nfs/dbraw/zinc/33/49/37/205334937.db2.gz CKECOMSGMJENPU-JOCHJYFZSA-N 0 0 387.483 3.982 40 0 GHABRN 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ZINC000019376533 526849910 /nfs/dbraw/zinc/84/99/10/526849910.db2.gz IGQYJWXMPBPZJM-UHFFFAOYSA-N 0 0 385.427 3.700 40 0 GHABRN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1C ZINC000408611452 527024575 /nfs/dbraw/zinc/02/45/75/527024575.db2.gz WHIVFBNYBUMTQP-UHFFFAOYSA-N 0 0 383.267 3.517 40 0 GHABRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccncc3)C2=O)cc1 ZINC000409343359 528111000 /nfs/dbraw/zinc/11/10/00/528111000.db2.gz GNJBZXGIEKDZPD-GZTJUZNOSA-N 0 0 381.457 3.880 40 0 GHABRN CC(C)c1ccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000113941646 528115901 /nfs/dbraw/zinc/11/59/01/528115901.db2.gz NDFIBCLQOMQTBP-CQSZACIVSA-N 0 0 378.469 3.742 40 0 GHABRN CCCN1C(=O)N/C(=C/c2cc(Br)c(OCC)c(OCC)c2)C1=O ZINC000409239687 528173740 /nfs/dbraw/zinc/17/37/40/528173740.db2.gz DDNAWKCIEBBUNM-UKTHLTGXSA-N 0 0 397.269 3.549 40 0 GHABRN CC1CCN(C(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)CC1 ZINC000408599990 528219279 /nfs/dbraw/zinc/21/92/79/528219279.db2.gz QJBXXRWGGFCFRG-UHFFFAOYSA-N 0 0 389.835 3.828 40 0 GHABRN CCOc1cc(OCC)c(/C=C2\SC(=O)N(C)C2=O)cc1Br ZINC000408809803 528334569 /nfs/dbraw/zinc/33/45/69/528334569.db2.gz JHTYRWIUZKVMGA-QPEQYQDCSA-N 0 0 386.267 3.913 40 0 GHABRN CCOc1cc([C@H]2[NH2+]C[C@@H](C(=O)[O-])S2)ccc1OCc1ccc(F)cc1 ZINC000408980805 528335299 /nfs/dbraw/zinc/33/52/99/528335299.db2.gz XVLDOBITCQCFJL-ROUUACIJSA-N 0 0 377.437 3.592 40 0 GHABRN CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(OCC)c1 ZINC000409074699 528368336 /nfs/dbraw/zinc/36/83/36/528368336.db2.gz USZUHOLEPPFECM-WOJGMQOQSA-N 0 0 384.407 3.716 40 0 GHABRN CCOc1ccc(C(=O)NC2CCCCCCC2)cc1S(=O)(=O)NC(C)C ZINC000408700832 528396897 /nfs/dbraw/zinc/39/68/97/528396897.db2.gz MPXNRFLJISGESV-UHFFFAOYSA-N 0 0 396.553 3.615 40 0 GHABRN CCCCNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 ZINC000409114448 528504172 /nfs/dbraw/zinc/50/41/72/528504172.db2.gz HPXGQIVGGFVZSH-UHFFFAOYSA-N 0 0 394.924 3.760 40 0 GHABRN CCCCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2)c1 ZINC000408549999 528554336 /nfs/dbraw/zinc/55/43/36/528554336.db2.gz ALVVMWGBGPJNAD-UHFFFAOYSA-N 0 0 396.896 3.679 40 0 GHABRN CCCCOC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccccc2)cc1 ZINC000408645078 528564638 /nfs/dbraw/zinc/56/46/38/528564638.db2.gz JIMXZWRMFJCWHE-NTEUORMPSA-N 0 0 381.428 3.839 40 0 GHABRN CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1NC(C)=O ZINC000408558382 528587730 /nfs/dbraw/zinc/58/77/30/528587730.db2.gz RDISACLLNLWCJP-UHFFFAOYSA-N 0 0 376.478 3.715 40 0 GHABRN CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CC ZINC000408696624 528588167 /nfs/dbraw/zinc/58/81/67/528588167.db2.gz CQNQPCZBJOEXNU-UHFFFAOYSA-N 0 0 382.869 3.888 40 0 GHABRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc(O)c(OCC)c1 ZINC000408731528 528617479 /nfs/dbraw/zinc/61/74/79/528617479.db2.gz NLJVHUCMVLYTKL-HXUWFJFHSA-N 0 0 396.443 3.899 40 0 GHABRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc(O)c(OC)c1 ZINC000408730169 528617774 /nfs/dbraw/zinc/61/77/74/528617774.db2.gz FXOBQYSAXADEEC-LJQANCHMSA-N 0 0 382.416 3.509 40 0 GHABRN CCCOc1ccc(N2C[C@H](C(=O)NCc3ccc(OCC)cc3)CC2=O)cc1 ZINC000408706715 528696473 /nfs/dbraw/zinc/69/64/73/528696473.db2.gz COXGTHZHNSEPND-GOSISDBHSA-N 0 0 396.487 3.543 40 0 GHABRN CCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000408987353 528726807 /nfs/dbraw/zinc/72/68/07/528726807.db2.gz WQVIDKTZXOTMRR-LJQANCHMSA-N 0 0 381.501 3.907 40 0 GHABRN CCOC(=O)N[C@H](CC(=O)NCCc1c[nH]c2ccccc12)c1ccccc1 ZINC000408976322 529100784 /nfs/dbraw/zinc/10/07/84/529100784.db2.gz ALFKVSQDTWJWQL-HXUWFJFHSA-N 0 0 379.460 3.704 40 0 GHABRN CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000408552163 529181327 /nfs/dbraw/zinc/18/13/27/529181327.db2.gz OTUJDFYMWBBRTM-LBPRGKRZSA-N 0 0 396.896 3.678 40 0 GHABRN CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000408706006 529245195 /nfs/dbraw/zinc/24/51/95/529245195.db2.gz SOHNSTMNPLCWIN-HXUWFJFHSA-N 0 0 382.460 3.727 40 0 GHABRN C[C@@H]1CC[C@@H]2C(=CC[C@@H](O)C2(C)C)[C@@]1(C)Cc1c(O)cc(CO)c(C=O)c1O ZINC000229777085 560036245 /nfs/dbraw/zinc/03/62/45/560036245.db2.gz KCAICXOYUFVURO-VNJJMSQGSA-N 0 0 388.504 3.715 40 0 biogenic,in-vitro GHABRN COCC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccccc3n2C)C[C@H]1C(C)C ZINC000072320879 560077769 /nfs/dbraw/zinc/07/77/69/560077769.db2.gz JOINCJGZZAMBNF-FHWLQOOXSA-N 0 0 383.536 3.733 40 0 biogenic,in-vitro GHABRN CC1=C[C@@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000072320866 560077783 /nfs/dbraw/zinc/07/77/83/560077783.db2.gz UKKOEUGGGKMOSC-ZOBUZTSGSA-N 0 0 393.528 3.648 40 0 biogenic,in-vitro GHABRN O=C(NC1CCCCC1)[C@@H]1Cc2[nH]cnc2CN1Cc1cc2ccccc2o1 ZINC000015676288 560094646 /nfs/dbraw/zinc/09/46/46/560094646.db2.gz HPBBPALHFWPAKT-FQEVSTJZSA-N 0 0 378.476 3.532 40 0 biogenic,in-vitro GHABRN Cc1nc([C@H]2CCCCN2C(=O)c2ccccc2)ncc1C(=O)N1CCCCC1 ZINC000019765707 570217191 /nfs/dbraw/zinc/21/71/91/570217191.db2.gz XGPKUZNNKGRDDT-HXUWFJFHSA-N 0 0 392.503 3.779 40 0 GHABRN CCCC(=O)N1CC[C@@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 ZINC000019766157 570217894 /nfs/dbraw/zinc/21/78/94/570217894.db2.gz VQDNULDRKOPXDH-CQSZACIVSA-N 0 0 386.883 3.807 40 0 GHABRN CCCCN1C(=S)N=NC1c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000013533952 570247143 /nfs/dbraw/zinc/24/71/43/570247143.db2.gz CTMIXCRGHHVRPI-UHFFFAOYSA-N 0 0 388.518 3.835 40 0 GHABRN Cc1nc(/C=C/C(=O)N2CC[C@H](O)[C@H](Cc3ccc(Cl)cc3)C2)cs1 ZINC000585290268 570258145 /nfs/dbraw/zinc/25/81/45/570258145.db2.gz PNWWGEJPXVJLGC-FVQGUVRESA-N 0 0 376.909 3.570 40 0 GHABRN COc1ccc(CCn2c(C)cs/c2=N\C(=O)c2ccccc2)cc1OC ZINC000101483515 570274710 /nfs/dbraw/zinc/27/47/10/570274710.db2.gz POYUHKIBZIPSOJ-DQRAZIAOSA-N 0 0 382.485 3.859 40 0 GHABRN COc1ccccc1Oc1ccc(CNC(=O)N2C[C@H](C)[C@](C)(CO)C2)cc1 ZINC000664072627 570281103 /nfs/dbraw/zinc/28/11/03/570281103.db2.gz RTTIEGXLWOQGIB-AOMKIAJQSA-N 0 0 384.476 3.647 40 0 GHABRN COc1cccc([C@H](Cc2cc(C)cc(C)c2)NC(=O)N2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000664216298 570282491 /nfs/dbraw/zinc/28/24/91/570282491.db2.gz GOLLULJTCBDXEY-ODGPQVTHSA-N 0 0 394.515 3.762 40 0 GHABRN CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(OC)cc2)o1 ZINC000021545392 570305137 /nfs/dbraw/zinc/30/51/37/570305137.db2.gz OCRVTKVRKZNXHJ-UHFFFAOYSA-N 0 0 385.445 3.875 40 0 GHABRN Cn1c(=O)n2n(c1=O)[C@H]1C=C[C@@H]2[C@@]2(C)C(c3ccccc3)=C(c3ccccc3)[C@@]12C ZINC000045071365 570322935 /nfs/dbraw/zinc/32/29/35/570322935.db2.gz QYOCYYHBFNXHQC-TXHUAPDYSA-N 0 0 397.478 3.651 40 0 GHABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000113940383 570334878 /nfs/dbraw/zinc/33/48/78/570334878.db2.gz SRRVESQYJCWNIR-CABCVRRESA-N 0 0 394.924 3.680 40 0 GHABRN Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC000113956677 570336020 /nfs/dbraw/zinc/33/60/20/570336020.db2.gz HOPJDRQJNBWVPF-KRWDZBQOSA-N 0 0 386.517 3.661 40 0 GHABRN CCc1ccc(NC(=O)CCCN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 ZINC000113962564 570336967 /nfs/dbraw/zinc/33/69/67/570336967.db2.gz LRDOBHUTKBBIOY-UHFFFAOYSA-N 0 0 388.533 3.996 40 0 GHABRN Cc1ccc([C@H](C)NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000113966034 570337367 /nfs/dbraw/zinc/33/73/67/570337367.db2.gz ZZXMVCHJECWBQH-INIZCTEOSA-N 0 0 392.496 3.558 40 0 GHABRN CC[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1C ZINC000219139833 570348219 /nfs/dbraw/zinc/34/82/19/570348219.db2.gz SLEWCOVCNQJFCI-HXUWFJFHSA-N 0 0 378.472 3.947 40 0 GHABRN CC(C)c1ccc(CCCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000219141037 570348272 /nfs/dbraw/zinc/34/82/72/570348272.db2.gz WFBQZDVXRMXMBY-UHFFFAOYSA-N 0 0 392.499 3.935 40 0 GHABRN Cc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1C ZINC000219284373 570351322 /nfs/dbraw/zinc/35/13/22/570351322.db2.gz TXGYVVZPAGERBV-ZDUSSCGKSA-N 0 0 380.897 3.819 40 0 GHABRN CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2)C1=O ZINC000006326885 570357969 /nfs/dbraw/zinc/35/79/69/570357969.db2.gz BTMWOPNDKDTFQK-GZTJUZNOSA-N 0 0 388.489 3.522 40 0 GHABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1ccccc1OC ZINC000219507834 570364899 /nfs/dbraw/zinc/36/48/99/570364899.db2.gz WKRFWXIBSCQOSG-CYBMUJFWSA-N 0 0 387.461 3.623 40 0 GHABRN COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3ccc(C)c(C)c3)n2)cc1 ZINC000219522856 570365517 /nfs/dbraw/zinc/36/55/17/570365517.db2.gz IQHMBUQKNWXEGA-INIZCTEOSA-N 0 0 395.459 3.788 40 0 GHABRN CCCCCOC(=O)O[C@H](C)CNC(=O)[C@@H](C)OC(=O)OCCCCC ZINC000004403992 570373672 /nfs/dbraw/zinc/37/36/72/570373672.db2.gz ZHNDTAJAVNKQMY-HUUCEWRRSA-N 0 0 375.462 3.566 40 0 GHABRN CCc1ccc(N([C@H](C)C(=O)Nc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000220262431 570383936 /nfs/dbraw/zinc/38/39/36/570383936.db2.gz LNPZUIMNIKKXTO-CYBMUJFWSA-N 0 0 380.897 3.696 40 0 GHABRN CC(C)c1ccccc1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000220451822 570386286 /nfs/dbraw/zinc/38/62/86/570386286.db2.gz JGIHBNSUTMVGDB-CYBMUJFWSA-N 0 0 396.459 3.881 40 0 GHABRN CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220528482 570387726 /nfs/dbraw/zinc/38/77/26/570387726.db2.gz ZORMTXPOOIPUCN-PKOBYXMFSA-N 0 0 388.533 3.725 40 0 GHABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1Br ZINC000023863461 570397253 /nfs/dbraw/zinc/39/72/53/570397253.db2.gz SKMJNISPTPIHGF-JTQLQIEISA-N 0 0 388.258 3.636 40 0 GHABRN CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000222480369 570411915 /nfs/dbraw/zinc/41/19/15/570411915.db2.gz ULHOBPMBPQVXEQ-INIZCTEOSA-N 0 0 388.508 3.531 40 0 GHABRN Cc1ccc(C)c(NC(=O)CCNC(=O)c2ccc3c(c2)nc(Cl)n3C)c1 ZINC000222550190 570414188 /nfs/dbraw/zinc/41/41/88/570414188.db2.gz NTLQHOUUYBQODO-UHFFFAOYSA-N 0 0 384.867 3.602 40 0 GHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 ZINC000222681689 570420511 /nfs/dbraw/zinc/42/05/11/570420511.db2.gz BQVPAYWESNSTGC-LBPRGKRZSA-N 0 0 397.277 3.838 40 0 GHABRN CN(CCOc1ccc(F)cc1)C(=O)[C@@H]1CC(c2ccccc2Cl)=NO1 ZINC000141580873 570420609 /nfs/dbraw/zinc/42/06/09/570420609.db2.gz MDWULBWJTNHRCV-SFHVURJKSA-N 0 0 376.815 3.510 40 0 GHABRN Cc1nccn1Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000222742528 570423505 /nfs/dbraw/zinc/42/35/05/570423505.db2.gz DLZCERXICQKKAP-HNNXBMFYSA-N 0 0 377.444 3.502 40 0 GHABRN CCn1c2ccc(S(=O)(=O)NCc3ccc4ccccc4c3)cc2sc1=O ZINC000222824076 570427903 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CCOC(=O)CSc1nnc(-c2ccc(O)cc2)n1-c1cccc(Cl)c1 ZINC000000882761 208483878 /nfs/dbraw/zinc/48/38/78/208483878.db2.gz WJTRBOWVVLTNNJ-UHFFFAOYSA-N 0 0 389.864 3.949 40 0 GHABRN COC(=O)CSc1nnc(CNc2ccc(F)cc2)n1C1CCCCC1 ZINC000000905080 208485952 /nfs/dbraw/zinc/48/59/52/208485952.db2.gz MFWZPRITPPJVAF-UHFFFAOYSA-N 0 0 378.473 3.800 40 0 GHABRN CC(C)OC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@@H](C)CC4 ZINC000000929550 208487201 /nfs/dbraw/zinc/48/72/01/208487201.db2.gz QAXGKGMSBFSLFD-JTQLQIEISA-N 0 0 376.507 3.508 40 0 GHABRN CCOC(=O)c1cc2sc(C)cc2n1CCCN1C(=O)c2ccccc2C1=O ZINC000001338247 208492308 /nfs/dbraw/zinc/49/23/08/208492308.db2.gz DSODBNUHVWRYGD-UHFFFAOYSA-N 0 0 396.468 3.874 40 0 GHABRN COc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NCc2ccc(C)cc2)cc1 ZINC000001328889 208493033 /nfs/dbraw/zinc/49/30/33/208493033.db2.gz ZFSQTMICJQTPOJ-HXUWFJFHSA-N 0 0 379.412 3.811 40 0 GHABRN COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCCCCC1 ZINC000001353653 208493896 /nfs/dbraw/zinc/49/38/96/208493896.db2.gz LGAGKWHTICXZIK-UHFFFAOYSA-N 0 0 397.450 3.760 40 0 GHABRN Cc1nc(C(=O)N2CCC3(CCc4ncc(-c5ccncc5)n4C3)CC2)cs1 ZINC000306137267 209103818 /nfs/dbraw/zinc/10/38/18/209103818.db2.gz QRERVUIOYRCECU-UHFFFAOYSA-N 0 0 393.516 3.579 40 0 GHABRN COCCNC(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(C)cc21 ZINC000004895214 208546260 /nfs/dbraw/zinc/54/62/60/208546260.db2.gz PYOWCDMHEGAFHK-UHFFFAOYSA-N 0 0 385.464 3.599 40 0 GHABRN CCCn1c(SCC(=O)N2c3ccccc3C[C@@H]2C)nnc1-c1ccncc1 ZINC000004860976 208546492 /nfs/dbraw/zinc/54/64/92/208546492.db2.gz NLYTZCSZCCYKPU-HNNXBMFYSA-N 0 0 393.516 3.820 40 0 GHABRN Cc1occc1-c1nnc(SCC(=O)Nc2nccs2)n1CC(C)C ZINC000004860840 208546546 /nfs/dbraw/zinc/54/65/46/208546546.db2.gz QPTZQENNUAYTPX-UHFFFAOYSA-N 0 0 377.495 3.690 40 0 GHABRN O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC000306132617 209102897 /nfs/dbraw/zinc/10/28/97/209102897.db2.gz LNWROMASFRUGQM-TZIWHRDSSA-N 0 0 383.444 3.841 40 0 GHABRN Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)nc1 ZINC000306134512 209101149 /nfs/dbraw/zinc/10/11/49/209101149.db2.gz NPOOKVZSJPFBSU-LJQANCHMSA-N 0 0 398.470 3.515 40 0 GHABRN CCOc1ccc(NC(=S)N2CCC(NC(=O)c3ccccc3C)CC2)cc1 ZINC000015936115 208794838 /nfs/dbraw/zinc/79/48/38/208794838.db2.gz GOJZMSVVPIOWJU-UHFFFAOYSA-N 0 0 397.544 3.985 40 0 GHABRN Cc1ccnc(C(=O)N2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306130831 209100110 /nfs/dbraw/zinc/10/01/10/209100110.db2.gz JQTJOZCDCLHADZ-IBGZPJMESA-N 0 0 398.470 3.515 40 0 GHABRN COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C ZINC000216435074 208824194 /nfs/dbraw/zinc/82/41/94/208824194.db2.gz GRPUEWULJOWBCZ-KRWDZBQOSA-N 0 0 398.503 3.982 40 0 GHABRN Cc1ccc(C(=O)N2CC[C@@]3(C2)Cn2c(-c4cccc(F)c4)cnc2CO3)s1 ZINC000306128857 209100474 /nfs/dbraw/zinc/10/04/74/209100474.db2.gz HMTSFOFVMDFIGI-OAQYLSRUSA-N 0 0 397.475 3.874 40 0 GHABRN O=S1(=O)c2ccc(-c3ccsc3)cc2[C@H]2CN(Cc3ccccn3)C[C@@H]21 ZINC000306130784 209100386 /nfs/dbraw/zinc/10/03/86/209100386.db2.gz JPHWQYBFLPDZDM-QUCCMNQESA-N 0 0 382.510 3.565 40 0 GHABRN CCOc1ccc(CCC(=O)NCc2nc(-c3ccccc3)no2)cc1OCC ZINC000219280268 208844415 /nfs/dbraw/zinc/84/44/15/208844415.db2.gz VYJSLEGYWLIMBB-UHFFFAOYSA-N 0 0 395.459 3.783 40 0 GHABRN CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1ccccc1F)S(C)(=O)=O ZINC000220585781 208862169 /nfs/dbraw/zinc/86/21/69/208862169.db2.gz MDACRMXMWNGLHV-HNNXBMFYSA-N 0 0 384.860 3.662 40 0 GHABRN CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 ZINC000222518064 208875954 /nfs/dbraw/zinc/87/59/54/208875954.db2.gz KDQWYSDKDATRND-CYBMUJFWSA-N 0 0 379.287 3.699 40 0 GHABRN CC(C)Oc1cccc(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1 ZINC000222498201 208876403 /nfs/dbraw/zinc/87/64/03/208876403.db2.gz ZDRMKUCJRQUZAT-UHFFFAOYSA-N 0 0 396.896 3.775 40 0 GHABRN Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1NS(C)(=O)=O ZINC000222943537 208887916 /nfs/dbraw/zinc/88/79/16/208887916.db2.gz CKRSUENXMOHSSN-OAHLLOKOSA-N 0 0 386.517 3.736 40 0 GHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C)c(C)c1 ZINC000223090220 208892851 /nfs/dbraw/zinc/89/28/51/208892851.db2.gz YSCCVDOXTPHAOJ-OAQYLSRUSA-N 0 0 382.504 3.544 40 0 GHABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(CC)cc1 ZINC000223826018 208911690 /nfs/dbraw/zinc/91/16/90/208911690.db2.gz XJFLZFLFCXBGNQ-KRWDZBQOSA-N 0 0 384.495 3.874 40 0 GHABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCC(C)C ZINC000223262204 208897196 /nfs/dbraw/zinc/89/71/96/208897196.db2.gz CZBBIUXLKWXCEU-JOCHJYFZSA-N 0 0 396.531 3.817 40 0 GHABRN CC[C@H](C)NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000224265106 208921871 /nfs/dbraw/zinc/92/18/71/208921871.db2.gz ICHKWAOZWLTTJF-ZDUSSCGKSA-N 0 0 380.897 3.693 40 0 GHABRN COc1cccc(NC(=O)c2ccc(Cn3cc(Br)cn3)cc2)c1 ZINC000027969796 208926914 /nfs/dbraw/zinc/92/69/14/208926914.db2.gz ZFXKRORZVWZEQN-UHFFFAOYSA-N 0 0 386.249 3.955 40 0 GHABRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 ZINC000223915561 208914518 /nfs/dbraw/zinc/91/45/18/208914518.db2.gz LFACWRWFGFJPTI-WOJBJXKFSA-N 0 0 377.517 3.663 40 0 GHABRN COc1ccccc1OCc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1 ZINC000027980354 208930198 /nfs/dbraw/zinc/93/01/98/208930198.db2.gz UCUHRCAZNHSSIW-UHFFFAOYSA-N 0 0 381.384 3.526 40 0 GHABRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)c(OC)c1 ZINC000224795485 208934821 /nfs/dbraw/zinc/93/48/21/208934821.db2.gz RKJKEKRIAJOPCM-RBUKOAKNSA-N 0 0 380.473 3.604 40 0 GHABRN Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O ZINC000224875744 208936603 /nfs/dbraw/zinc/93/66/03/208936603.db2.gz RHNFQHPGQVDJOP-ROUUACIJSA-N 0 0 384.892 3.956 40 0 GHABRN CC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)c1ccc(C)cc1 ZINC000225159942 208943448 /nfs/dbraw/zinc/94/34/48/208943448.db2.gz KQBIIJDVSUVIFV-HXUWFJFHSA-N 0 0 398.528 3.724 40 0 GHABRN O=S1(=O)c2ccc(-c3cccs3)cc2[C@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000306128574 209099734 /nfs/dbraw/zinc/09/97/34/209099734.db2.gz HFDWTPMKFKDOPS-XLIONFOSSA-N 0 0 382.510 3.565 40 0 GHABRN CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(C)c1 ZINC000225422669 208952554 /nfs/dbraw/zinc/95/25/54/208952554.db2.gz UFTBFTYTUCRHSO-JOCHJYFZSA-N 0 0 396.531 3.880 40 0 GHABRN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C(C)C)cc1 ZINC000225712587 208971094 /nfs/dbraw/zinc/97/10/94/208971094.db2.gz CLLCLXPGGFQJCR-CQSZACIVSA-N 0 0 390.530 3.992 40 0 GHABRN CCCn1c2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2sc1=O ZINC000225721794 208971099 /nfs/dbraw/zinc/97/10/99/208971099.db2.gz AVGVCKPISDHFOW-UHFFFAOYSA-N 0 0 376.503 3.891 40 0 GHABRN CC(C)NC(=S)Nc1nc(N2CCc3ccccc3C2)cc(C(F)(F)F)n1 ZINC000225890119 208982424 /nfs/dbraw/zinc/98/24/24/208982424.db2.gz KQWBFIXVRZWPSB-UHFFFAOYSA-N 0 0 395.454 3.753 40 0 GHABRN Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1 ZINC000225973467 208985472 /nfs/dbraw/zinc/98/54/72/208985472.db2.gz HISDDTNSYHVBSH-UHFFFAOYSA-N 0 0 387.288 3.950 40 0 GHABRN C[C@H]1[C@H](NC(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)CCC[C@@H]1C ZINC000032957465 208993761 /nfs/dbraw/zinc/99/37/61/208993761.db2.gz RQYHGRKSCNFSKA-BXTJHSDWSA-N 0 0 383.488 3.948 40 0 GHABRN O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2CN(Cc3ccccn3)C[C@@H]21 ZINC000306126190 209097715 /nfs/dbraw/zinc/09/77/15/209097715.db2.gz DPCNZDCLKRZQAY-UNMCSNQZSA-N 0 0 394.471 3.643 40 0 GHABRN COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000118933583 533213652 /nfs/dbraw/zinc/21/36/52/533213652.db2.gz UCCSDQHGWDGDPS-IBKOPVIMSA-N 0 0 378.553 3.786 40 0 GHABRN COc1ncccc1C(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257199825 209052884 /nfs/dbraw/zinc/05/28/84/209052884.db2.gz AAYJAOFIQOZEJG-INIZCTEOSA-N 0 0 395.434 3.828 40 0 GHABRN Cc1ncc(CN2CCO[C@H](c3ccc(Nc4nc(C)cc(C)n4)cn3)C2)s1 ZINC000257203156 209055561 /nfs/dbraw/zinc/05/55/61/209055561.db2.gz AOWYLCXLNCPNIE-IBGZPJMESA-N 0 0 396.520 3.570 40 0 GHABRN COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3cncs3)C2)o1 ZINC000257210671 209055649 /nfs/dbraw/zinc/05/56/49/209055649.db2.gz BVQRLCCHVWGMGO-HNNXBMFYSA-N 0 0 383.473 3.750 40 0 GHABRN C[C@]1(c2ccnc3ccnn32)CCCN1C(=O)c1ccnc(Cc2ccccc2)c1 ZINC000257215719 209057469 /nfs/dbraw/zinc/05/74/69/209057469.db2.gz CRIGFOJAJONZNZ-XMMPIXPASA-N 0 0 397.482 3.867 40 0 GHABRN Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)[nH]c(=O)n1 ZINC000257245734 209059402 /nfs/dbraw/zinc/05/94/02/209059402.db2.gz IQWRWELAIMOGMP-GOSISDBHSA-N 0 0 396.422 3.576 40 0 GHABRN Cc1nn(C)cc1CN1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000257248625 209059622 /nfs/dbraw/zinc/05/96/22/209059622.db2.gz JEMVUDKXFLGQQJ-JOCHJYFZSA-N 0 0 396.922 3.941 40 0 GHABRN C[C@]1(O)CN(C(=O)c2cc(-c3ccccc3F)no2)CC[C@@H]1Oc1ccccc1 ZINC000257250653 209060521 /nfs/dbraw/zinc/06/05/21/209060521.db2.gz JNKVZWNGSDHULF-UNMCSNQZSA-N 0 0 396.418 3.525 40 0 GHABRN O=C(Cc1ccc(F)cc1)N1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257266280 209064140 /nfs/dbraw/zinc/06/41/40/209064140.db2.gz MCHBWXCCJZLMQB-FQEVSTJZSA-N 0 0 398.409 3.686 40 0 GHABRN CNc1cc([C@H]2CCCN2C(=O)C2(Cc3ccc(F)cc3)CCOCC2)ccn1 ZINC000257267906 209064799 /nfs/dbraw/zinc/06/47/99/209064799.db2.gz MJJMPCXUJHDMRC-HXUWFJFHSA-N 0 0 397.494 3.965 40 0 GHABRN O=C(Nc1nc2ccccc2[nH]1)c1cc2cc(Br)ccc2oc1=O ZINC000016525098 221365144 /nfs/dbraw/zinc/36/51/44/221365144.db2.gz BUAYPDYHGYGSKP-UHFFFAOYSA-N 0 0 384.189 3.684 40 0 GHABRN CCN1C(=O)CC[C@@H](C(=O)N(Cc2cccnc2)C2CC2)[C@@H]1c1ccccc1C ZINC000257280363 209065668 /nfs/dbraw/zinc/06/56/68/209065668.db2.gz OKNYDDLIIGXFAD-GGAORHGYSA-N 0 0 391.515 3.881 40 0 GHABRN O=C(NCc1cccnc1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257277391 209066813 /nfs/dbraw/zinc/06/68/13/209066813.db2.gz NXUHCSWAYKIKIV-UHFFFAOYSA-N 0 0 387.483 3.799 40 0 GHABRN CCCC(=O)N1CCC(Cc2cccc(-c3cccnc3)c2)(C(=O)N(C)C)CC1 ZINC000257288170 209068687 /nfs/dbraw/zinc/06/86/87/209068687.db2.gz PTEKKCOBRQRVHR-UHFFFAOYSA-N 0 0 393.531 3.788 40 0 GHABRN COCCOCC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257280991 209067634 /nfs/dbraw/zinc/06/76/34/209067634.db2.gz ONFSKRIWNXPOAI-GOSISDBHSA-N 0 0 392.883 3.635 40 0 GHABRN Cc1cnc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cn1 ZINC000257296766 209071108 /nfs/dbraw/zinc/07/11/08/209071108.db2.gz REHUOZRYRWLDQD-GOSISDBHSA-N 0 0 382.851 3.995 40 0 GHABRN Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CN(Cc3ncc[nH]3)CCO2)n1 ZINC000257303670 209071184 /nfs/dbraw/zinc/07/11/84/209071184.db2.gz SIENMNKLLGTTCR-FQEVSTJZSA-N 0 0 382.895 3.931 40 0 GHABRN COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3ccnc(C)n3)o2)c1 ZINC000257298481 209071387 /nfs/dbraw/zinc/07/13/87/209071387.db2.gz RLWDGWIYTRBNPT-FQEVSTJZSA-N 0 0 392.459 3.740 40 0 GHABRN O=C(c1ccccn1)N1CCC[C@@]2(C[C@@H](Oc3ccc(F)c(Cl)c3)CO2)C1 ZINC000257300764 209071453 /nfs/dbraw/zinc/07/14/53/209071453.db2.gz RVPDEOUDUDCKTL-FOIQADDNSA-N 0 0 390.842 3.717 40 0 GHABRN COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cccc(=O)[nH]3)o2)c1 ZINC000257304465 209072770 /nfs/dbraw/zinc/07/27/70/209072770.db2.gz SLUKDGOBFOTDLO-IBGZPJMESA-N 0 0 393.443 3.742 40 0 GHABRN O=C(c1ccc2ccccc2n1)N1CCC[C@H](Cc2cc(-c3ncc[nH]3)ncn2)C1 ZINC000257305628 209073138 /nfs/dbraw/zinc/07/31/38/209073138.db2.gz SQVHEYCPAWACQF-MRXNPFEDSA-N 0 0 398.470 3.510 40 0 GHABRN O=C(NC1CCCC1)[C@@H]1CC2(CCN(c3cnccn3)CC2)c2ccccc21 ZINC000096079358 136183460 /nfs/dbraw/zinc/18/34/60/136183460.db2.gz IXGMLUNJKOZNHK-LJQANCHMSA-N 0 0 376.504 3.561 40 0 GHABRN Nc1ccc(N2CCOCC2)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000226253979 136192577 /nfs/dbraw/zinc/19/25/77/136192577.db2.gz YJPCJECTRYDMHO-UHFFFAOYSA-N 0 0 387.483 3.876 40 0 GHABRN Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)n1 ZINC000004966090 136194381 /nfs/dbraw/zinc/19/43/81/136194381.db2.gz DNUBFASXHGUIAK-UHFFFAOYSA-N 0 0 389.297 3.711 40 0 GHABRN Cc1ccc(NC(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)cc1 ZINC000224268962 136206534 /nfs/dbraw/zinc/20/65/34/136206534.db2.gz URHHORBSHRFLKW-UHFFFAOYSA-N 0 0 388.475 3.756 40 0 GHABRN Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)n1 ZINC000257328403 209075684 /nfs/dbraw/zinc/07/56/84/209075684.db2.gz XFMMICJLICCGFV-FQEVSTJZSA-N 0 0 378.476 3.833 40 0 GHABRN O=C(NC[C@H]1CCCOC1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257335994 209078302 /nfs/dbraw/zinc/07/83/02/209078302.db2.gz YMRSFOMUTOXMLQ-HXUWFJFHSA-N 0 0 394.515 3.631 40 0 GHABRN Cc1noc(C)c1-c1cccc(C2CCN(C(=O)COc3cccnc3)CC2)n1 ZINC000257342274 209078782 /nfs/dbraw/zinc/07/87/82/209078782.db2.gz ZNXCWCSQAQZTPF-UHFFFAOYSA-N 0 0 392.459 3.533 40 0 GHABRN COc1cc2c(cc1OC)[C@H](c1ccnn1C)N(C(=O)c1ccc(C)s1)CC2 ZINC000072342716 222231420 /nfs/dbraw/zinc/23/14/20/222231420.db2.gz YKMILDRYSLGCQY-HXUWFJFHSA-N 0 0 397.500 3.595 40 0 GHABRN CCc1nn(C)c(C(=O)N2CCC[C@@H]2c2ccnc3cc(C(C)(C)C)nn32)c1C ZINC000072391722 222249855 /nfs/dbraw/zinc/24/98/55/222249855.db2.gz OEYLIJVFLAZDHA-MRXNPFEDSA-N 0 0 394.523 3.608 40 0 GHABRN COc1ccc(CSCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000408563230 533729824 /nfs/dbraw/zinc/72/98/24/533729824.db2.gz KHZJGJZHUNCZLN-UHFFFAOYSA-N 0 0 384.545 3.894 40 0 GHABRN COc1ccccc1NC(=O)Cn1nc(COc2ccc(C)cc2)oc1=S ZINC000409151815 534175823 /nfs/dbraw/zinc/17/58/23/534175823.db2.gz HPRBWQLSTAUJGF-UHFFFAOYSA-N 0 0 385.445 3.740 40 0 GHABRN Cc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)s1 ZINC000408872455 534248015 /nfs/dbraw/zinc/24/80/15/534248015.db2.gz DNOGKQITCOCMPA-ZSOIEALJSA-N 0 0 376.434 3.871 40 0 GHABRN NC(=O)COc1ccc(Cl)cc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 ZINC000408558611 534338562 /nfs/dbraw/zinc/33/85/62/534338562.db2.gz RYUBWDPVXSLJIC-QGZVFWFLSA-N 0 0 397.283 3.636 40 0 GHABRN O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1 ZINC000409004742 534508829 /nfs/dbraw/zinc/50/88/29/534508829.db2.gz QPJJFMBARWCFGW-UHFFFAOYSA-N 0 0 390.480 3.788 40 0 GHABRN CC(=O)c1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)c(Cl)c1)[C@H](O)C(C)(C)O2 ZINC000033866477 527349022 /nfs/dbraw/zinc/34/90/22/527349022.db2.gz XLIIRNOPGJTBJD-MSOLQXFVSA-N 0 0 391.826 3.685 40 0 GHABRN CC(C)CN1C(=O)S/C(=C\c2cn(CC(=O)NC3CC3)c3ccccc23)C1=O ZINC000409128408 527956832 /nfs/dbraw/zinc/95/68/32/527956832.db2.gz FIWCKIBVTOWSPC-NVMNQCDNSA-N 0 0 397.500 3.612 40 0 GHABRN CCCC1=NC(=S)N[C@@H](c2ccc(C)c(Br)c2)C1C(=O)OCC ZINC000408604459 528065834 /nfs/dbraw/zinc/06/58/34/528065834.db2.gz JJWQEKFMZCPRLE-HNNXBMFYSA-N 0 0 397.338 3.894 40 0 GHABRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccn3)C2=O)cc1 ZINC000409329034 528111211 /nfs/dbraw/zinc/11/12/11/528111211.db2.gz CAUZCIKSCCTCFX-BOPFTXTBSA-N 0 0 381.457 3.880 40 0 GHABRN CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c(C)c1 ZINC000408628376 528312813 /nfs/dbraw/zinc/31/28/13/528312813.db2.gz SCHLLSUKTKNPEX-UHFFFAOYSA-N 0 0 399.516 3.739 40 0 GHABRN CCOc1ccc(-c2ccc(OC(=O)c3cc(OC)cc(OC)c3)nn2)cc1 ZINC000408530159 528351086 /nfs/dbraw/zinc/35/10/86/528351086.db2.gz IXHKSMYKVZKJGV-UHFFFAOYSA-N 0 0 380.400 3.779 40 0 GHABRN CCOc1ccc(NC(=O)c2cccc(N3C(=O)c4cccnc4C3=O)c2)cc1 ZINC000408721267 528550733 /nfs/dbraw/zinc/55/07/33/528550733.db2.gz FZEUXZWICMLLGD-UHFFFAOYSA-N 0 0 387.395 3.533 40 0 GHABRN CCOc1ccc(S(=O)(=O)NCCC(C)C)cc1NC(=O)c1ccccc1 ZINC000408559371 528580389 /nfs/dbraw/zinc/58/03/89/528580389.db2.gz WRICOLVRZPMXIH-UHFFFAOYSA-N 0 0 390.505 3.662 40 0 GHABRN CCCCOCc1nn(CCC(F)(F)F)cc1I ZINC000408717013 528627441 /nfs/dbraw/zinc/62/74/41/528627441.db2.gz UUSIZHBIMYOXEA-UHFFFAOYSA-N 0 0 376.160 3.757 40 0 GHABRN CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)CC2=O)cc1 ZINC000103717766 528696263 /nfs/dbraw/zinc/69/62/63/528696263.db2.gz UEYJNAURDUHMGB-GOSISDBHSA-N 0 0 378.472 3.956 40 0 GHABRN CCCOc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)CC)cc2)c1 ZINC000006710589 528734831 /nfs/dbraw/zinc/73/48/31/528734831.db2.gz PUTNAMLQJLESDN-UHFFFAOYSA-N 0 0 385.489 3.951 40 0 GHABRN CCOC(=O)CN1C(=O)S/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O ZINC000409045095 528807450 /nfs/dbraw/zinc/80/74/50/528807450.db2.gz FMRAIUQPRKNFGE-GZTJUZNOSA-N 0 0 384.457 3.694 40 0 GHABRN CCCn1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC3)C2=O)c2ccccc21 ZINC000106769816 528828510 /nfs/dbraw/zinc/82/85/10/528828510.db2.gz HXJDOZFCTLBWSV-PDGQHHTCSA-N 0 0 397.500 3.710 40 0 GHABRN CC(C)[C@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2ccccn2)n1 ZINC000329063329 529024874 /nfs/dbraw/zinc/02/48/74/529024874.db2.gz XCRCIZPSCWXOCY-IBGZPJMESA-N 0 0 397.910 3.655 40 0 GHABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc(C)c2C)ccc1OC ZINC000408585362 529107481 /nfs/dbraw/zinc/10/74/81/529107481.db2.gz FPVOVAZYOHUKMS-UHFFFAOYSA-N 0 0 378.450 3.681 40 0 GHABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1OC ZINC000408588074 529107729 /nfs/dbraw/zinc/10/77/29/529107729.db2.gz XDFIBBQTTSPEBC-UHFFFAOYSA-N 0 0 378.450 3.681 40 0 GHABRN CC[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 ZINC000409000698 529176163 /nfs/dbraw/zinc/17/61/63/529176163.db2.gz FMQDWPXTUBZICI-YWZLYKJASA-N 0 0 379.460 3.782 40 0 GHABRN O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000225479459 560042780 /nfs/dbraw/zinc/04/27/80/560042780.db2.gz IPPRNXJMITYVHY-HOCLYGCPSA-N 0 0 378.350 3.559 40 0 biogenic,in-vitro GHABRN CC1=C[C@@H](CNC(=O)NC(C)C)[C@H](C(C)C)C[C@H]1CC(=O)Nc1ccccn1 ZINC000030882099 560089806 /nfs/dbraw/zinc/08/98/06/560089806.db2.gz YNFKPRKGBZOYSQ-FHWLQOOXSA-N 0 0 386.540 3.972 40 0 biogenic,in-vitro GHABRN CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)O[C@@H]1C(C)(C)OC(=O)CC(C)C ZINC000014826989 560226927 /nfs/dbraw/zinc/22/69/27/560226927.db2.gz KNGWIQNCSUFYHU-UXHICEINSA-N 0 0 388.416 3.526 40 0 biogenic,in-vitro GHABRN CC(C)[C@@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2ccncc2)n1 ZINC000328969934 570210148 /nfs/dbraw/zinc/21/01/48/570210148.db2.gz DGLCVWMJJRQXOR-LJQANCHMSA-N 0 0 397.910 3.655 40 0 GHABRN Fc1cc(F)c(Nc2cc(-c3cccnc3)nc(NC3CCCC3)n2)c(F)c1 ZINC000329043605 570214904 /nfs/dbraw/zinc/21/49/04/570214904.db2.gz SSGKLEAOIBXINH-UHFFFAOYSA-N 0 0 385.393 3.898 40 0 GHABRN O=C(NCc1ccccn1)/C(=C\c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000211524877 570275816 /nfs/dbraw/zinc/27/58/16/570275816.db2.gz PCMFSLJBMLMVLS-HYARGMPZSA-N 0 0 396.450 3.650 40 0 GHABRN CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000001962021 570297516 /nfs/dbraw/zinc/29/75/16/570297516.db2.gz PQCPFGLLZYOCGZ-UHFFFAOYSA-N 0 0 396.226 3.966 40 0 GHABRN CC[C@H](NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccccc1 ZINC000216285292 570298310 /nfs/dbraw/zinc/29/83/10/570298310.db2.gz UXJBXCSFXZIRFT-KSSFIOAISA-N 0 0 394.924 3.762 40 0 GHABRN COC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)c1C ZINC000216327747 570298915 /nfs/dbraw/zinc/29/89/15/570298915.db2.gz MMCBQXWZXKDDLS-ZDUSSCGKSA-N 0 0 389.473 3.918 40 0 GHABRN COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000003474104 570300586 /nfs/dbraw/zinc/30/05/86/570300586.db2.gz WZXALCBLLUMWET-UHFFFAOYSA-N 0 0 384.215 3.806 40 0 GHABRN N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072227323 570318945 /nfs/dbraw/zinc/31/89/45/570318945.db2.gz PKKVKQNBXWEMAA-KBPBESRZSA-N 0 0 385.183 3.883 40 0 GHABRN Cc1ccc(Cl)cc1N(CC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O ZINC000022273569 570329811 /nfs/dbraw/zinc/32/98/11/570329811.db2.gz GTBCIVBGCHFELE-UHFFFAOYSA-N 0 0 387.288 3.707 40 0 GHABRN COC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113885646 570334422 /nfs/dbraw/zinc/33/44/22/570334422.db2.gz JMMFSQPKACRLPT-UHFFFAOYSA-N 0 0 392.235 3.501 40 0 GHABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000113971349 570338973 /nfs/dbraw/zinc/33/89/73/570338973.db2.gz FOAQPBNUNFUUCP-FQEVSTJZSA-N 0 0 396.487 3.572 40 0 GHABRN Cc1nnc2sc(-c3ccccc3NC(=O)COc3ccc(Cl)cc3)nn12 ZINC000408573791 570341400 /nfs/dbraw/zinc/34/14/00/570341400.db2.gz OGVYCAKXXGMJHN-UHFFFAOYSA-N 0 0 399.863 3.832 40 0 GHABRN COc1ccc(CNC(=O)[C@H](C)Oc2cccc3ccccc32)c(OC)c1OC ZINC000219037472 570346606 /nfs/dbraw/zinc/34/66/06/570346606.db2.gz KFKUDAWTZPAVQH-HNNXBMFYSA-N 0 0 395.455 3.949 40 0 GHABRN Nc1c2cc3cc4c(cc3nc2sc1C(=O)NCc1ccccc1)OCCO4 ZINC000004848845 570346942 /nfs/dbraw/zinc/34/69/42/570346942.db2.gz XWMJVSHVNFZDEW-UHFFFAOYSA-N 0 0 391.452 3.733 40 0 GHABRN CC(C)=C[C@H]1[C@H](C(=O)N(Cc2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)C1(C)C ZINC000035092916 570347868 /nfs/dbraw/zinc/34/78/68/570347868.db2.gz YPUZNAKLWQCVIE-SLFFLAALSA-N 0 0 389.561 3.749 40 0 GHABRN Cc1ccc(C)c([C@@H](C)NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 ZINC000219166707 570348593 /nfs/dbraw/zinc/34/85/93/570348593.db2.gz PUCGZJKJSQPQPA-GOSISDBHSA-N 0 0 388.533 3.727 40 0 GHABRN Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(CN2CCOCC2)c1 ZINC000219246756 570350270 /nfs/dbraw/zinc/35/02/70/570350270.db2.gz ZDHHACKJLXFTFK-OAQYLSRUSA-N 0 0 394.515 3.859 40 0 GHABRN Cc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1C ZINC000219284341 570351166 /nfs/dbraw/zinc/35/11/66/570351166.db2.gz TXGYVVZPAGERBV-CYBMUJFWSA-N 0 0 380.897 3.819 40 0 GHABRN CC[C@H](Oc1cccc(OC)c1)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219364583 570357052 /nfs/dbraw/zinc/35/70/52/570357052.db2.gz OZSLBBVJSTYNCT-HNNXBMFYSA-N 0 0 387.461 3.623 40 0 GHABRN COc1ccc(-c2noc(CNC(=O)c3cc4ccccc4cc3OC)n2)cc1 ZINC000219395508 570358852 /nfs/dbraw/zinc/35/88/52/570358852.db2.gz FKLYDUVYTYOPNC-UHFFFAOYSA-N 0 0 389.411 3.837 40 0 GHABRN CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000219556740 570367223 /nfs/dbraw/zinc/36/72/23/570367223.db2.gz NYBQFFQVVRZHLG-KRWDZBQOSA-N 0 0 387.476 3.965 40 0 GHABRN c1ccc(-n2nnnc2CC2N(c3ccccc3)CCN2c2ccccc2)cc1 ZINC000004347783 570370005 /nfs/dbraw/zinc/37/00/05/570370005.db2.gz YXFSQHMWTQQLKX-UHFFFAOYSA-N 0 0 382.471 3.558 40 0 GHABRN CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OC)c(OC)c1OC ZINC000219602784 570370212 /nfs/dbraw/zinc/37/02/12/570370212.db2.gz JRZCDJNSVKKWHI-INIZCTEOSA-N 0 0 393.867 3.840 40 0 GHABRN Cc1ccc(Cl)cc1NC(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000219712591 570374191 /nfs/dbraw/zinc/37/41/91/570374191.db2.gz FMDZVIRORUBEID-UHFFFAOYSA-N 0 0 380.897 3.688 40 0 GHABRN COc1ccc(-c2noc(CN(C)C(=O)CCc3ccccc3Cl)n2)cc1 ZINC000220021301 570380344 /nfs/dbraw/zinc/38/03/44/570380344.db2.gz LNZRDDSDPHGLSF-UHFFFAOYSA-N 0 0 385.851 3.990 40 0 GHABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc(C)c2C)c(F)c1F ZINC000408628967 570381254 /nfs/dbraw/zinc/38/12/54/570381254.db2.gz YVKQCERFAXNLKO-UHFFFAOYSA-N 0 0 386.370 3.995 40 0 GHABRN Cc1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O)CC2)c(C)c1 ZINC000004543865 570382965 /nfs/dbraw/zinc/38/29/65/570382965.db2.gz PKZPGEZCPWHPSR-FTRFVJLKSA-N 0 0 394.515 3.832 40 0 GHABRN Cc1ccc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1Cl ZINC000220300227 570384562 /nfs/dbraw/zinc/38/45/62/570384562.db2.gz YJYRWKKJVSTWCF-GFCCVEGCSA-N 0 0 384.860 3.581 40 0 GHABRN CC[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)N(c1ccccc1F)S(C)(=O)=O ZINC000220591113 570388879 /nfs/dbraw/zinc/38/88/79/570388879.db2.gz RZLHKJVAJXDXDZ-INIZCTEOSA-N 0 0 398.887 3.971 40 0 GHABRN O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(I)o1 ZINC000004714092 570397080 /nfs/dbraw/zinc/39/70/80/570397080.db2.gz CRJWMESNTBMFCO-XFFZJAGNSA-N 0 0 399.571 3.882 40 0 GHABRN O=C(NC(=S)Nc1nccs1)c1cc(Br)ccc1Cl ZINC000004723359 570397945 /nfs/dbraw/zinc/39/79/45/570397945.db2.gz JYDPEZWCYXGONE-UHFFFAOYSA-N 0 0 376.688 3.686 40 0 GHABRN CCOC(=O)c1cc(NC(=O)COC(=O)c2cccc(Cl)c2)ccc1Cl ZINC000006956112 570398890 /nfs/dbraw/zinc/39/88/90/570398890.db2.gz KSZYFFLBJZNLRF-UHFFFAOYSA-N 0 0 396.226 3.966 40 0 GHABRN Cc1ccc(S(=O)(=O)[N-]c2nnc(SCc3ccccc3)s2)cc1 ZINC000121208810 570404480 /nfs/dbraw/zinc/40/44/80/570404480.db2.gz DBOINMDJWGGAHF-UHFFFAOYSA-N 0 0 377.516 3.940 40 0 GHABRN O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCOCC2)cc1 ZINC000004902147 570416523 /nfs/dbraw/zinc/41/65/23/570416523.db2.gz HLYXVYZELIUEDV-UHFFFAOYSA-N 0 0 380.366 3.560 40 0 GHABRN CC[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(OC)c(OC)c1 ZINC000222646129 570418393 /nfs/dbraw/zinc/41/83/93/570418393.db2.gz BGTYJAXNBRIBBQ-QGZVFWFLSA-N 0 0 385.460 3.675 40 0 GHABRN COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc3c(c1)OCO3)CC(C)(C)O2 ZINC000222653771 570418659 /nfs/dbraw/zinc/41/86/59/570418659.db2.gz XMIVHJSPWRMSPJ-KRWDZBQOSA-N 0 0 383.444 3.775 40 0 GHABRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(OC)c(O)c(OC)c3)N21 ZINC000222654012 570419025 /nfs/dbraw/zinc/41/90/25/570419025.db2.gz IALOODGXRPQBSF-FSPWUOQZSA-N 0 0 385.489 3.784 40 0 GHABRN COc1cccc([C@H]2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)C[C@@H]2O)c1 ZINC000004984600 570421601 /nfs/dbraw/zinc/42/16/01/570421601.db2.gz TZKUEONYTUSAIP-CQAHELDESA-N 0 0 384.520 3.524 40 0 GHABRN COc1ccc(/C=C2/SC(=O)N(CC(=O)OC(C)(C)C)C2=O)cc1Cl ZINC000005007629 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O=C(CN1CCC(c2cccc(Cc3ccccc3)n2)CC1)Nc1ccccn1 ZINC000072349543 222236688 /nfs/dbraw/zinc/23/66/88/222236688.db2.gz DLYDNFQLDHATRU-UHFFFAOYSA-N 0 0 386.499 3.886 40 0 GHABRN CCCC(=O)N1CCN(CCC)C(=O)[C@H]1Cc1ccc(-c2ccncc2)cc1 ZINC000072351848 222238304 /nfs/dbraw/zinc/23/83/04/222238304.db2.gz YSAYWCCOSAMXTK-OAQYLSRUSA-N 0 0 379.504 3.541 40 0 GHABRN Cc1ccc(CN(c2ccc(C(=O)NCCC(C)C)cc2)S(C)(=O)=O)cc1 ZINC000008372379 533905770 /nfs/dbraw/zinc/90/57/70/533905770.db2.gz IKGMZZKRVLRACR-UHFFFAOYSA-N 0 0 388.533 3.737 40 0 GHABRN CCC[C@H](C)NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000006946419 528056421 /nfs/dbraw/zinc/05/64/21/528056421.db2.gz ZIHDQUSHJVCYHJ-INIZCTEOSA-N 0 0 392.496 3.634 40 0 GHABRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CN(CC)c1ccccc1 ZINC000408545918 528124173 /nfs/dbraw/zinc/12/41/73/528124173.db2.gz BMIHKZWBZUNDSF-UHFFFAOYSA-N 0 0 388.489 3.901 40 0 GHABRN CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O ZINC000409243132 528175130 /nfs/dbraw/zinc/17/51/30/528175130.db2.gz 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ZINC000007263331 528902436 /nfs/dbraw/zinc/90/24/36/528902436.db2.gz TYYVCFDGDRBQHO-UHFFFAOYSA-N 0 0 387.871 3.936 40 0 GHABRN CCOC(=O)Cn1c(C)c(/C=C2/N=C(c3ccccc3)OC2=O)c2ccccc21 ZINC000408816594 528919932 /nfs/dbraw/zinc/91/99/32/528919932.db2.gz LWQPKANMEBCXNW-CPNJWEJPSA-N 0 0 388.423 3.857 40 0 GHABRN CCCCc1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1CC ZINC000408561016 529054417 /nfs/dbraw/zinc/05/44/17/529054417.db2.gz UZLKTVKLPFHEFV-UHFFFAOYSA-N 0 0 376.570 3.818 40 0 GHABRN CCOC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000408585098 529112263 /nfs/dbraw/zinc/11/22/63/529112263.db2.gz CNUWLEJSKUNJGH-OAHLLOKOSA-N 0 0 376.478 3.555 40 0 GHABRN CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)c2ccccc2)CC1=O ZINC000408652481 529162922 /nfs/dbraw/zinc/16/29/22/529162922.db2.gz OSUFSEXZPUVQLW-IBGZPJMESA-N 0 0 379.456 3.590 40 0 GHABRN COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3F)n2)cn1 ZINC000035425405 560080309 /nfs/dbraw/zinc/08/03/09/560080309.db2.gz HGFOJNLATWTZKO-SFHVURJKSA-N 0 0 398.438 3.633 40 0 biogenic,in-vitro GHABRN COCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)NCc1cccnc1)CC2 ZINC000003841693 560190106 /nfs/dbraw/zinc/19/01/06/560190106.db2.gz MCRCINGQAKFQJY-FXAWDEMLSA-N 0 0 396.531 3.781 40 0 biogenic,in-vitro GHABRN CCNc1nc(C2CC2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000328984899 570210750 /nfs/dbraw/zinc/21/07/50/570210750.db2.gz HQHJUNIGTKLZPY-UHFFFAOYSA-N 0 0 378.398 3.669 40 0 GHABRN CC(C)c1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329020344 570213481 /nfs/dbraw/zinc/21/34/81/570213481.db2.gz OBHYQNONCMXOOS-IERDGZPVSA-N 0 0 398.551 3.645 40 0 GHABRN Cc1nc(/C=C/C(=O)N2CC[C@@H](O)[C@H](Cc3ccc(Cl)cc3)C2)cs1 ZINC000585290269 570258260 /nfs/dbraw/zinc/25/82/60/570258260.db2.gz PNWWGEJPXVJLGC-YOBDTOFLSA-N 0 0 376.909 3.570 40 0 GHABRN Cc1nc(/C=C/C(=O)N2CCC[C@H](O)[C@@H]2Cc2ccc(Cl)cc2)cs1 ZINC000585290715 570259366 /nfs/dbraw/zinc/25/93/66/570259366.db2.gz VAAXDERADBGOPC-XDIYQJDNSA-N 0 0 376.909 3.713 40 0 GHABRN CCc1ccc2[nH]c3nc(SCC(=O)NC4CCCCCC4)nnc3c2c1 ZINC000005678638 570273069 /nfs/dbraw/zinc/27/30/69/570273069.db2.gz YXSLFPZSKJKEAR-UHFFFAOYSA-N 0 0 383.521 4.000 40 0 GHABRN Cc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccn(C)n3)cs2)cc1 ZINC000585295414 570279792 /nfs/dbraw/zinc/27/97/92/570279792.db2.gz YOFQWJYTEKNGQH-GOSISDBHSA-N 0 0 381.505 3.774 40 0 GHABRN Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1Cl ZINC000216246546 570297507 /nfs/dbraw/zinc/29/75/07/570297507.db2.gz UBMARLZBAZQSGJ-UHFFFAOYSA-N 0 0 378.881 3.884 40 0 GHABRN COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000003399736 570300746 /nfs/dbraw/zinc/30/07/46/570300746.db2.gz MGSFIZRNQYVYJD-UHFFFAOYSA-N 0 0 384.215 3.806 40 0 GHABRN CCOc1ccccc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000113968586 570338738 /nfs/dbraw/zinc/33/87/38/570338738.db2.gz YRUNFINYBAUCLA-UHFFFAOYSA-N 0 0 390.505 3.579 40 0 GHABRN Cc1ccc(C(=O)NCCCc2ccc(C(C)C)cc2)cc1NS(C)(=O)=O ZINC000116828084 570345548 /nfs/dbraw/zinc/34/55/48/570345548.db2.gz ZGKWZHNHXFOIAZ-UHFFFAOYSA-N 0 0 388.533 3.853 40 0 GHABRN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000003603768 570348521 /nfs/dbraw/zinc/34/85/21/570348521.db2.gz HDHJDPDRMLBLHI-UHFFFAOYSA-N 0 0 380.469 3.856 40 0 GHABRN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1ccccc1OC ZINC000219507898 570364922 /nfs/dbraw/zinc/36/49/22/570364922.db2.gz WKRFWXIBSCQOSG-ZDUSSCGKSA-N 0 0 387.461 3.623 40 0 GHABRN CC(C)(C)NC(=O)CN1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 ZINC000057688734 570364934 /nfs/dbraw/zinc/36/49/34/570364934.db2.gz FNYKFTCIZWLVJQ-UHFFFAOYSA-N 0 0 392.956 3.500 40 0 GHABRN CC[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000057670554 570368235 /nfs/dbraw/zinc/36/82/35/570368235.db2.gz LRLZJSRNMHGYRR-FQEVSTJZSA-N 0 0 396.926 3.648 40 0 GHABRN Cc1ccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1Cl ZINC000220300276 570384539 /nfs/dbraw/zinc/38/45/39/570384539.db2.gz YJYRWKKJVSTWCF-LBPRGKRZSA-N 0 0 384.860 3.581 40 0 GHABRN Cc1cc(Cl)ccc1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220470255 570386766 /nfs/dbraw/zinc/38/67/66/570386766.db2.gz PPRLRANBTVQTAY-LBPRGKRZSA-N 0 0 384.860 3.581 40 0 GHABRN CC[C@H](C(=O)N[C@H](C)c1ccccc1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220528624 570387815 /nfs/dbraw/zinc/38/78/15/570387815.db2.gz ZORMTXPOOIPUCN-IEBWSBKVSA-N 0 0 388.533 3.725 40 0 GHABRN CC[C@H](C(=O)Nc1ccc(F)cc1F)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220568911 570388508 /nfs/dbraw/zinc/38/85/08/570388508.db2.gz YIRCRFIIBDUSKA-GOSISDBHSA-N 0 0 396.459 3.765 40 0 GHABRN CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000023623880 570394786 /nfs/dbraw/zinc/39/47/86/570394786.db2.gz AJPGABAWMACDRU-UHFFFAOYSA-N 0 0 384.457 3.573 40 0 GHABRN COC(=O)c1ccc(Cl)c(NC(=O)CCCOc2ccc(OC)cc2)c1 ZINC000023685143 570395792 /nfs/dbraw/zinc/39/57/92/570395792.db2.gz RQPUCEYKVIUSDO-UHFFFAOYSA-N 0 0 377.824 3.933 40 0 GHABRN Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1N(C)S(C)(=O)=O ZINC000222462706 570411699 /nfs/dbraw/zinc/41/16/99/570411699.db2.gz KQCOFONOWNTCPJ-IBGZPJMESA-N 0 0 388.533 3.908 40 0 GHABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 ZINC000222478025 570411991 /nfs/dbraw/zinc/41/19/91/570411991.db2.gz ZDGVGHIIVOUHLZ-GOSISDBHSA-N 0 0 382.504 3.661 40 0 GHABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(F)cc1 ZINC000222480307 570412097 /nfs/dbraw/zinc/41/20/97/570412097.db2.gz ULHOBPMBPQVXEQ-MRXNPFEDSA-N 0 0 388.508 3.531 40 0 GHABRN Cc1cc(C)cc(N(CCCC(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)c1 ZINC000222564662 570414806 /nfs/dbraw/zinc/41/48/06/570414806.db2.gz PICATCVUMRIINS-SFHVURJKSA-N 0 0 388.533 3.727 40 0 GHABRN CSc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000004884717 570415298 /nfs/dbraw/zinc/41/52/98/570415298.db2.gz LVPYDMAJDPVRHR-UHFFFAOYSA-N 0 0 388.514 3.508 40 0 GHABRN CCc1ccc(N(CCCC(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1 ZINC000222642982 570418137 /nfs/dbraw/zinc/41/81/37/570418137.db2.gz UBZCNWWUMNVPJG-UHFFFAOYSA-N 0 0 392.565 3.802 40 0 GHABRN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSCc1ccccc1F ZINC000222704190 570421325 /nfs/dbraw/zinc/42/13/25/570421325.db2.gz QAZWRBWOXUGBQE-UHFFFAOYSA-N 0 0 393.436 3.501 40 0 GHABRN COc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 ZINC000222703908 570421344 /nfs/dbraw/zinc/42/13/44/570421344.db2.gz DSKMPUFBFYMXFI-SFHVURJKSA-N 0 0 396.531 3.878 40 0 GHABRN COc1ccc(CCCNC(=O)CSCc2ccccc2F)cc1OC ZINC000222710759 570421864 /nfs/dbraw/zinc/42/18/64/570421864.db2.gz RUZUVGJIZZYDSS-UHFFFAOYSA-N 0 0 377.481 3.825 40 0 GHABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1cccnc1 ZINC000222867349 570429676 /nfs/dbraw/zinc/42/96/76/570429676.db2.gz NOWNNDMLGDNUTC-WOJBJXKFSA-N 0 0 377.517 3.958 40 0 GHABRN CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000222976359 570434610 /nfs/dbraw/zinc/43/46/10/570434610.db2.gz RHUIHYBADRRAFF-HNNXBMFYSA-N 0 0 388.895 3.792 40 0 GHABRN CCc1s/c(=N\c2cccc(Br)c2)n(C(C)=O)c1OC(C)=O ZINC000005375750 570436372 /nfs/dbraw/zinc/43/63/72/570436372.db2.gz UAMQWEJRUSXRKG-ICFOKQHNSA-N 0 0 383.267 3.692 40 0 GHABRN Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCCC1 ZINC000039377199 570443883 /nfs/dbraw/zinc/44/38/83/570443883.db2.gz PUJSOUOYRDPRTO-VXKWHMMOSA-N 0 0 391.471 3.981 40 0 GHABRN CCOC(=O)c1ccc(NC(=O)c2cnc(-c3ccc(OC)cc3)nc2C)cc1 ZINC000223143816 570446802 /nfs/dbraw/zinc/44/68/02/570446802.db2.gz MEXYWJNCCBQGDW-UHFFFAOYSA-N 0 0 391.427 3.890 40 0 GHABRN CC1(C)CC(=O)C(C(c2cccc(O)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000005633878 570449517 /nfs/dbraw/zinc/44/95/17/570449517.db2.gz ZRPCZKZZGPSOOZ-UHFFFAOYSA-N 0 0 384.472 3.625 40 0 GHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl ZINC000223238579 570451906 /nfs/dbraw/zinc/45/19/06/570451906.db2.gz OSUGJOXFZWZESU-SFHVURJKSA-N 0 0 376.859 3.575 40 0 GHABRN O=C(COC(=O)c1ccc(F)cc1)Nc1ccccc1C(=O)c1ccccc1 ZINC000005753918 570455602 /nfs/dbraw/zinc/45/56/02/570455602.db2.gz ZODPONZCXFHBDO-UHFFFAOYSA-N 0 0 377.371 3.852 40 0 GHABRN NC(=O)c1ccc(OCc2cccc(Br)c2)c(Br)c1 ZINC000226326325 570459469 /nfs/dbraw/zinc/45/94/69/570459469.db2.gz PJSITVSAKXGLIY-UHFFFAOYSA-N 0 0 385.055 3.890 40 0 GHABRN CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccn1)c1ccccc1 ZINC000223340310 570459939 /nfs/dbraw/zinc/45/99/39/570459939.db2.gz OOHJZTLRNAQIHE-QHCPKHFHSA-N 0 0 387.483 3.878 40 0 GHABRN NC(=O)c1cccc(-c2nc3c(cc(Br)cc3Br)[nH]2)c1 ZINC000226343909 570460449 /nfs/dbraw/zinc/46/04/49/570460449.db2.gz QVDPMBPAQDRXHE-UHFFFAOYSA-N 0 0 395.054 3.854 40 0 GHABRN COC(=O)c1ccc(NC2CCCC2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000223409879 570464640 /nfs/dbraw/zinc/46/46/40/570464640.db2.gz NBXSTHMHNUJJGJ-UHFFFAOYSA-N 0 0 388.489 3.937 40 0 GHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 ZINC000223460851 570467554 /nfs/dbraw/zinc/46/75/54/570467554.db2.gz PDVYCKBFUWWJOO-IBGZPJMESA-N 0 0 396.531 3.880 40 0 GHABRN CCc1ccc2c(c1)c1nnc(SCC(=O)Nc3ccccc3F)nc1n2C ZINC000035312719 570467813 /nfs/dbraw/zinc/46/78/13/570467813.db2.gz WWLYXDJMCGCLEW-UHFFFAOYSA-N 0 0 395.463 3.949 40 0 GHABRN CC(=O)c1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2=NCCCS2)cc1 ZINC000035313617 570468325 /nfs/dbraw/zinc/46/83/25/570468325.db2.gz GWHKEACKXXJGJA-UHFFFAOYSA-N 0 0 392.477 3.717 40 0 GHABRN COC(=O)c1cc(S(=O)(=O)N[C@H](C)c2cc(C)c(C)cc2C)ccc1C ZINC000223493769 570468677 /nfs/dbraw/zinc/46/86/77/570468677.db2.gz OKUOAYFWYKOXND-MRXNPFEDSA-N 0 0 375.490 3.746 40 0 GHABRN CSc1ccccc1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000035316311 570469979 /nfs/dbraw/zinc/46/99/79/570469979.db2.gz KWUFPXXYFDUWNB-UHFFFAOYSA-N 0 0 391.301 3.615 40 0 GHABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1cccc(Cl)c1 ZINC000223590543 570473137 /nfs/dbraw/zinc/47/31/37/570473137.db2.gz NPAFVJRPPIPVTA-MRXNPFEDSA-N 0 0 388.895 3.581 40 0 GHABRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000006238457 570473457 /nfs/dbraw/zinc/47/34/57/570473457.db2.gz NFFRMGMNUHSZEP-UHFFFAOYSA-N 0 0 392.278 3.534 40 0 GHABRN CCOc1ccc(C(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1Cl ZINC000006242711 570473923 /nfs/dbraw/zinc/47/39/23/570473923.db2.gz QHYHKAIDCJBOLR-UHFFFAOYSA-N 0 0 391.880 3.824 40 0 GHABRN Cc1cccc(CS(=O)(=O)NCc2nc(-c3ccc(C(C)C)cc3)no2)c1 ZINC000223625599 570475019 /nfs/dbraw/zinc/47/50/19/570475019.db2.gz DVABYYJYGDQQGX-UHFFFAOYSA-N 0 0 385.489 3.788 40 0 GHABRN CC(C)c1ccc(-c2noc(CNS(=O)(=O)Cc3ccc(F)cc3)n2)cc1 ZINC000223633755 570475753 /nfs/dbraw/zinc/47/57/53/570475753.db2.gz HECCGGZLSPTILM-UHFFFAOYSA-N 0 0 389.452 3.619 40 0 GHABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)cc1 ZINC000223658867 570477062 /nfs/dbraw/zinc/47/70/62/570477062.db2.gz JOAMJINSWYELDC-UHFFFAOYSA-N 0 0 389.473 3.768 40 0 GHABRN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NCc1ccco1 ZINC000000779329 570479429 /nfs/dbraw/zinc/47/94/29/570479429.db2.gz KEHRHMSCUYRICY-UHFFFAOYSA-N 0 0 394.456 3.588 40 0 GHABRN COc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1OC ZINC000223703497 570479660 /nfs/dbraw/zinc/47/96/60/570479660.db2.gz HTRSTVLFUUQSGM-UHFFFAOYSA-N 0 0 393.505 3.657 40 0 GHABRN O=C(Cc1nc2c(c(=O)[nH]1)[C@H]1CCCC[C@H]1S2)Nc1ccc(Cl)cc1 ZINC000006448265 570480213 /nfs/dbraw/zinc/48/02/13/570480213.db2.gz LWIPSMDAUJHFOB-QWHCGFSZSA-N 0 0 375.881 3.736 40 0 GHABRN COc1cccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)c1 ZINC000223745599 570482588 /nfs/dbraw/zinc/48/25/88/570482588.db2.gz HPDLBTTVTQRLIF-UHFFFAOYSA-N 0 0 375.490 3.620 40 0 GHABRN COc1ccc2cc(S(=O)(=O)Nc3ccc(N4CCCC4=O)cc3)ccc2c1 ZINC000223902134 570489727 /nfs/dbraw/zinc/48/97/27/570489727.db2.gz VNWXZUZSQYAAKM-UHFFFAOYSA-N 0 0 396.468 3.776 40 0 GHABRN Nc1cc(Br)c(OC(F)(F)F)cc1I ZINC000307527526 570495548 /nfs/dbraw/zinc/49/55/48/570495548.db2.gz JLOWWJWWZNZOPL-UHFFFAOYSA-N 0 0 381.917 3.535 40 0 GHABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccccc1 ZINC000224052278 570496237 /nfs/dbraw/zinc/49/62/37/570496237.db2.gz AGSORZJOXWQQGO-SFHVURJKSA-N 0 0 384.545 3.765 40 0 GHABRN Cc1ccc(C(=O)NCc2ccccc2F)cc1NS(=O)(=O)c1ccccc1 ZINC000224098618 570498693 /nfs/dbraw/zinc/49/86/93/570498693.db2.gz QIXLNHCQCIKJCD-UHFFFAOYSA-N 0 0 398.459 3.865 40 0 GHABRN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCN(c2ccccc2)CC1 ZINC000007069390 570500484 /nfs/dbraw/zinc/50/04/84/570500484.db2.gz QWWBIRKGEGTGQH-UHFFFAOYSA-N 0 0 396.878 3.671 40 0 GHABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C ZINC000224135978 570500530 /nfs/dbraw/zinc/50/05/30/570500530.db2.gz ZACPFSMUDKICCQ-HXUWFJFHSA-N 0 0 382.504 3.626 40 0 GHABRN COc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccc(Cl)cc1 ZINC000224155589 570501110 /nfs/dbraw/zinc/50/11/10/570501110.db2.gz KNMITQXEDMOCHC-GOSISDBHSA-N 0 0 375.852 3.836 40 0 GHABRN COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1 ZINC000000867157 570501452 /nfs/dbraw/zinc/50/14/52/570501452.db2.gz NLMBUVDKJOOKRK-KRWDZBQOSA-N 0 0 387.892 3.780 40 0 GHABRN COC(=O)CSc1nnc(CNc2ccc(F)cc2)n1-c1ccc(C)cc1 ZINC000000870459 570501727 /nfs/dbraw/zinc/50/17/27/570501727.db2.gz ZLQFHGOOQBGZAZ-UHFFFAOYSA-N 0 0 386.452 3.592 40 0 GHABRN COc1ccc(C(=O)N2CCOCC2)cc1COc1ccc(Cl)c(C)c1 ZINC000224208896 570503911 /nfs/dbraw/zinc/50/39/11/570503911.db2.gz JQXTXSPXCUDYIT-UHFFFAOYSA-N 0 0 375.852 3.708 40 0 GHABRN Cc1cccc(C)c1NCc1nnc(SCC(=O)Nc2ccccc2)n1C ZINC000000878148 570505105 /nfs/dbraw/zinc/50/51/05/570505105.db2.gz 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528899521 /nfs/dbraw/zinc/89/95/21/528899521.db2.gz GEZDRLKZKSJNHY-GFCCVEGCSA-N 0 0 382.432 3.684 40 0 GHABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1OC ZINC000408585821 529107765 /nfs/dbraw/zinc/10/77/65/529107765.db2.gz JUFRRGLIKLGVHE-UHFFFAOYSA-N 0 0 384.841 3.718 40 0 GHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCCN1CCCc2ccccc21 ZINC000219365241 535818168 /nfs/dbraw/zinc/81/81/68/535818168.db2.gz XKWNUHHEFDDVOU-JOCHJYFZSA-N 0 0 382.504 3.812 40 0 GHABRN COc1cccc2[nH]c(C[C@H]3C[N@@H+](C4CCCCC4)CC[C@H]3CC(=O)[O-])nc21 ZINC000514289413 560032470 /nfs/dbraw/zinc/03/24/70/560032470.db2.gz SIODCZGUCPDYDX-HOTGVXAUSA-N 0 0 385.508 3.860 40 0 biogenic,in-vitro GHABRN CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(F)c(F)c3)n2)cn1 ZINC000035426236 560080403 /nfs/dbraw/zinc/08/04/03/560080403.db2.gz VSPXIAXGTQKMGX-KRWDZBQOSA-N 0 0 385.418 3.813 40 0 biogenic,in-vitro GHABRN COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@@H](C(C)C)O4 ZINC000003978475 560192533 /nfs/dbraw/zinc/19/25/33/560192533.db2.gz 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ZINC000223591729 570473373 /nfs/dbraw/zinc/47/33/73/570473373.db2.gz ZEWYFOHHRYXAIN-RTBURBONSA-N 0 0 399.903 3.960 40 0 GHABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C ZINC000223626739 570475481 /nfs/dbraw/zinc/47/54/81/570475481.db2.gz DLNJYXVFWWGQFB-FQEVSTJZSA-N 0 0 396.531 3.852 40 0 GHABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 ZINC000223639200 570475942 /nfs/dbraw/zinc/47/59/42/570475942.db2.gz NTZILGSXQUYGQX-SFHVURJKSA-N 0 0 384.545 3.782 40 0 GHABRN CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 ZINC000223638959 570475971 /nfs/dbraw/zinc/47/59/71/570475971.db2.gz NNNBXHJPQLUQGX-GOSISDBHSA-N 0 0 384.545 3.949 40 0 GHABRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OCC(C)C)cc3)CC2=O)cc1 ZINC000170565912 570479386 /nfs/dbraw/zinc/47/93/86/570479386.db2.gz JYOTVLRLBBQCKV-GOSISDBHSA-N 0 0 394.471 3.799 40 0 GHABRN COc1cccc(C[NH+]2CCC(C(=O)N(C)Cc3ccccc3)CC2)c1OC ZINC000000785803 570481216 /nfs/dbraw/zinc/48/12/16/570481216.db2.gz ZPSMNWXWPWZIQG-UHFFFAOYSA-N 0 0 382.504 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COCCCNC(=O)c1ccccc1NC(=O)CSCc1ccccc1C ZINC000408576468 570342733 /nfs/dbraw/zinc/34/27/33/570342733.db2.gz VOZVZCRRLYJCRR-UHFFFAOYSA-N 0 0 386.517 3.633 40 0 GHABRN CCCn1c2nnc(SCCOc3ccccc3)n2c2ccccc2c1=O ZINC000003375323 570343245 /nfs/dbraw/zinc/34/32/45/570343245.db2.gz DHGAVOYURNIUHQ-UHFFFAOYSA-N 0 0 380.473 3.625 40 0 GHABRN Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(N(C)C)cc1 ZINC000005404145 570345386 /nfs/dbraw/zinc/34/53/86/570345386.db2.gz DQKCZCZHDPURLK-UHFFFAOYSA-N 0 0 391.265 3.619 40 0 GHABRN CC[C@@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(C)c(C)c1 ZINC000219139663 570348355 /nfs/dbraw/zinc/34/83/55/570348355.db2.gz NINKNGZTDACOEU-HXUWFJFHSA-N 0 0 378.472 3.947 40 0 GHABRN COc1ccccc1N1CCN(C(=O)c2cc3ccccc3cc2OC)CC1 ZINC000003612209 570348878 /nfs/dbraw/zinc/34/88/78/570348878.db2.gz LXUWYXYUCPAFAU-UHFFFAOYSA-N 0 0 376.456 3.819 40 0 GHABRN CC[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000219293088 570351551 /nfs/dbraw/zinc/35/15/51/570351551.db2.gz QBMKIHBOYWDDDG-UGSOOPFHSA-N 0 0 395.908 3.778 40 0 GHABRN COc1ccc(C(=O)NC(=S)Nc2nc3ccc(C)cc3s2)c(OC)c1 ZINC000057315837 570360768 /nfs/dbraw/zinc/36/07/68/570360768.db2.gz KPXQGHAWELCWPS-UHFFFAOYSA-N 0 0 387.486 3.749 40 0 GHABRN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Br)c1O ZINC000057582244 570362201 /nfs/dbraw/zinc/36/22/01/570362201.db2.gz JJYOFZVACUOFKH-MFOYZWKCSA-N 0 0 380.198 3.908 40 0 GHABRN COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccccc1OC)CC(C)(C)O2 ZINC000219503209 570364511 /nfs/dbraw/zinc/36/45/11/570364511.db2.gz BYHQXSLQPWOPLS-PBHICJAKSA-N 0 0 385.460 3.890 40 0 GHABRN COc1cccc(-c2noc(CN(C)C(=O)[C@@H](C)Oc3ccc(C)c(C)c3)n2)c1 ZINC000219522605 570365671 /nfs/dbraw/zinc/36/56/71/570365671.db2.gz KTKGVLQZMVUKSP-MRXNPFEDSA-N 0 0 395.459 3.788 40 0 GHABRN CC[C@H](Oc1ccccc1OC)C(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000219564000 570368574 /nfs/dbraw/zinc/36/85/74/570368574.db2.gz AWYGXNIUIRDBHL-KRWDZBQOSA-N 0 0 387.476 3.619 40 0 GHABRN O=C(NC(=S)NNc1ccccc1)c1cc(Br)ccc1Cl ZINC000408629114 570381128 /nfs/dbraw/zinc/38/11/28/570381128.db2.gz ZNFKRDTZKMPYQN-UHFFFAOYSA-N 0 0 384.686 3.734 40 0 GHABRN CC(C)(C)C(=O)NC(=S)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 ZINC000408629120 570381332 /nfs/dbraw/zinc/38/13/32/570381332.db2.gz ZOXHSYFGNUHEHJ-UHFFFAOYSA-N 0 0 387.896 3.933 40 0 GHABRN CCc1ccc(N([C@H](C)C(=O)NC2CCCCCCC2)S(C)(=O)=O)cc1 ZINC000220280332 570384183 /nfs/dbraw/zinc/38/41/83/570384183.db2.gz GERYMKHDQDCWHI-MRXNPFEDSA-N 0 0 380.554 3.633 40 0 GHABRN CC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000220544438 570388127 /nfs/dbraw/zinc/38/81/27/570388127.db2.gz UZGYTSRBDINGSI-QGZVFWFLSA-N 0 0 396.459 3.765 40 0 GHABRN C[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1)c1ccc(C(C)(C)C)cc1 ZINC000222417427 570410196 /nfs/dbraw/zinc/41/01/96/570410196.db2.gz APDZQTOCJHEJPI-HNNXBMFYSA-N 0 0 388.533 3.871 40 0 GHABRN Cc1c(C(=O)N[C@H](CC(C)C)c2ccccc2)cccc1N(C)S(C)(=O)=O ZINC000222441289 570410937 /nfs/dbraw/zinc/41/09/37/570410937.db2.gz YJGLCMIXFCIGOR-LJQANCHMSA-N 0 0 388.533 3.908 40 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CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223105318 570443635 /nfs/dbraw/zinc/44/36/35/570443635.db2.gz UWURJBVRSYNMCT-LJQANCHMSA-N 0 0 390.886 3.883 40 0 GHABRN CCOC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc(OC)cc2)o1 ZINC000039755976 570447972 /nfs/dbraw/zinc/44/79/72/570447972.db2.gz KYRSXFODGKYITM-UHFFFAOYSA-N 0 0 382.376 3.566 40 0 GHABRN COc1cccc(C(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CCCC4)c1 ZINC000035291173 570459794 /nfs/dbraw/zinc/45/97/94/570459794.db2.gz OBWOXDTYNZPSQF-UHFFFAOYSA-N 0 0 386.498 3.847 40 0 GHABRN CCc1cccc(CC)c1NS(=O)(=O)c1cc2oc(=O)n(CC)c2cc1C ZINC000223358045 570461739 /nfs/dbraw/zinc/46/17/39/570461739.db2.gz JSOSFEOVSCIOBA-UHFFFAOYSA-N 0 0 388.489 3.848 40 0 GHABRN Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)cc1 ZINC000223373771 570462757 /nfs/dbraw/zinc/46/27/57/570462757.db2.gz RWMOVNYGXLQYPS-UHFFFAOYSA-N 0 0 392.480 3.999 40 0 GHABRN COC(=O)c1cc(NC(=O)COC(=O)c2cccc(Cl)c2)ccc1Cl ZINC000008092187 570462862 /nfs/dbraw/zinc/46/28/62/570462862.db2.gz RHCXPNMTHPYPSZ-UHFFFAOYSA-N 0 0 382.199 3.576 40 0 GHABRN O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)[NH2+]CCc1ccccc1 ZINC000006061111 570465330 /nfs/dbraw/zinc/46/53/30/570465330.db2.gz HSPHFNAZCYQVDP-INIZCTEOSA-N 0 0 381.259 3.608 40 0 GHABRN Cc1cc(C(=O)N2CCCC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000131510389 570466071 /nfs/dbraw/zinc/46/60/71/570466071.db2.gz SPMSTSXIQBBVFW-UHFFFAOYSA-N 0 0 378.881 3.685 40 0 GHABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C ZINC000223456404 570467133 /nfs/dbraw/zinc/46/71/33/570467133.db2.gz MEKMAFBBEHTZFP-WOJBJXKFSA-N 0 0 377.517 3.605 40 0 GHABRN O=C(Nc1ccccc1F)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000035312263 570467323 /nfs/dbraw/zinc/46/73/23/570467323.db2.gz AGLXYQHOBDMDPK-ZDUSSCGKSA-N 0 0 396.871 3.519 40 0 GHABRN Cc1ccc([C@@H](c2nnnn2C(C)C)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000035312509 570467482 /nfs/dbraw/zinc/46/74/82/570467482.db2.gz WTDREUDYSWIIKZ-NRFANRHFSA-N 0 0 394.498 3.613 40 0 GHABRN CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 ZINC000223492573 570468773 /nfs/dbraw/zinc/46/87/73/570468773.db2.gz IKWZCVXPNKCDJC-NRFANRHFSA-N 0 0 398.572 3.906 40 0 GHABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccccc1 ZINC000223517819 570469635 /nfs/dbraw/zinc/46/96/35/570469635.db2.gz WZKDLVYXCPTUNJ-FQEVSTJZSA-N 0 0 380.532 3.995 40 0 GHABRN CCc1ccccc1NC(=O)CN(CC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000006169004 570470815 /nfs/dbraw/zinc/47/08/15/570470815.db2.gz IBAIAVUTXHPCFC-UHFFFAOYSA-N 0 0 380.897 3.552 40 0 GHABRN Cc1cc(C)c(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)c(C)c1 ZINC000008333310 570471707 /nfs/dbraw/zinc/47/17/07/570471707.db2.gz CXLGMPNYRMXTHS-UHFFFAOYSA-N 0 0 388.533 3.870 40 0 GHABRN CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000006238413 570473442 /nfs/dbraw/zinc/47/34/42/570473442.db2.gz IXTHXOTVSJTCLI-UHFFFAOYSA-N 0 0 392.278 3.534 40 0 GHABRN CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc3c(c2)OCO3)c1 ZINC000006245913 570473847 /nfs/dbraw/zinc/47/38/47/570473847.db2.gz YDGAMFYUDHYSJP-UHFFFAOYSA-N 0 0 399.472 3.671 40 0 GHABRN COc1cc(C(=O)NCCOc2ccccc2C(C)(C)C)cc(OC)c1OC ZINC000223669164 570477922 /nfs/dbraw/zinc/47/79/22/570477922.db2.gz YIEDETVJYGKPFP-UHFFFAOYSA-N 0 0 387.476 3.819 40 0 GHABRN CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(Cl)c1 ZINC000223680219 570478397 /nfs/dbraw/zinc/47/83/97/570478397.db2.gz URFWJJRFTMHURO-INIZCTEOSA-N 0 0 388.895 3.581 40 0 GHABRN COc1ccc(-n2ncc3c2ncnc3Nc2cc(OC)ccc2OC)cc1 ZINC000000756751 570478911 /nfs/dbraw/zinc/47/89/11/570478911.db2.gz HWRRYMBLIZYVCX-UHFFFAOYSA-N 0 0 377.404 3.585 40 0 GHABRN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000000791947 570481477 /nfs/dbraw/zinc/48/14/77/570481477.db2.gz BQUHNPPZIAYUBD-OAHLLOKOSA-N 0 0 392.908 3.688 40 0 GHABRN CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccc(C)cc1 ZINC000223877495 570488263 /nfs/dbraw/zinc/48/82/63/570488263.db2.gz BIQWKRHQJXSFJE-KRWDZBQOSA-N 0 0 381.881 3.865 40 0 GHABRN CCc1nnc2sc(-c3ccc(NC(=O)c4cccc(C)c4OC)cc3)nn12 ZINC000006710866 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Cc1ccc(C)c(Nc2cc(-c3cccnc3)nc(N[C@@H](CO)C(C)C)n2)c1 ZINC000329017966 570212528 /nfs/dbraw/zinc/21/25/28/570212528.db2.gz NOHKLVVGRFWHQX-FQEVSTJZSA-N 0 0 377.492 3.750 40 0 GHABRN C[C@@H]1CN(C(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)C[C@H](C)O1 ZINC000096147662 570214140 /nfs/dbraw/zinc/21/41/40/570214140.db2.gz XHLXYNLONBWICB-GASCZTMLSA-N 0 0 394.450 3.538 40 0 GHABRN COc1ccccc1C(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(C)c1 ZINC000020152564 570244941 /nfs/dbraw/zinc/24/49/41/570244941.db2.gz SAYMLLBPFKZDRL-UHFFFAOYSA-N 0 0 396.468 3.883 40 0 GHABRN Cc1nc(/C=C/C(=O)N2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)cs1 ZINC000585289407 570257266 /nfs/dbraw/zinc/25/72/66/570257266.db2.gz FTOBSMCUZBSWQN-OFPNUDFGSA-N 0 0 398.528 3.832 40 0 GHABRN CC(C)NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000020766277 570283250 /nfs/dbraw/zinc/28/32/50/570283250.db2.gz DITCTRMEHWAKPQ-UHFFFAOYSA-N 0 0 392.908 3.620 40 0 GHABRN COc1ccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000003386703 570300153 /nfs/dbraw/zinc/30/01/53/570300153.db2.gz QQDUHEMQYIWPKP-UHFFFAOYSA-N 0 0 383.322 3.518 40 0 GHABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000216408371 570301095 /nfs/dbraw/zinc/30/10/95/570301095.db2.gz JDBBEXLBANFOBV-GOSISDBHSA-N 0 0 376.859 3.985 40 0 GHABRN COc1c(Br)c2ccccc2cc1-c1nc2ccccc2c(=O)n1N ZINC000575415008 570305896 /nfs/dbraw/zinc/30/58/96/570305896.db2.gz GQERCYPFMGIHIS-UHFFFAOYSA-N 0 0 396.244 3.702 40 0 GHABRN COc1ccc(Cl)cc1S(=O)(=O)NCc1cccc(C(F)(F)F)c1 ZINC000107124886 570308608 /nfs/dbraw/zinc/30/86/08/570308608.db2.gz CYVGUWJBZSHFOQ-UHFFFAOYSA-N 0 0 379.787 3.846 40 0 GHABRN CC[C@H](C)NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000022274998 570330103 /nfs/dbraw/zinc/33/01/03/570330103.db2.gz YZTWUPMDJUXHJK-HNNXBMFYSA-N 0 0 394.924 3.758 40 0 GHABRN Cc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000113955251 570335737 /nfs/dbraw/zinc/33/57/37/570335737.db2.gz QVNUWWITYJKCLR-INIZCTEOSA-N 0 0 392.496 3.558 40 0 GHABRN Cc1ccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c(C)c1 ZINC000113964848 570337132 /nfs/dbraw/zinc/33/71/32/570337132.db2.gz ZVNOBBVKVAYLKD-UHFFFAOYSA-N 0 0 378.469 3.627 40 0 GHABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)N3CCCC3)cc2)S(C)(=O)=O)c1 ZINC000113966429 570337616 /nfs/dbraw/zinc/33/76/16/570337616.db2.gz YSPXFNYBSWFHBO-UHFFFAOYSA-N 0 0 386.517 3.506 40 0 GHABRN CC[C@H](NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000113967491 570338404 /nfs/dbraw/zinc/33/84/04/570338404.db2.gz FNIYDHQDNVBGLY-KXBFYZLASA-N 0 0 392.496 3.556 40 0 GHABRN COc1ccccc1CCCNC(=O)COc1ccc(Br)cc1 ZINC000218815991 570341423 /nfs/dbraw/zinc/34/14/23/570341423.db2.gz BIDUGCYOWLBSDP-UHFFFAOYSA-N 0 0 378.266 3.586 40 0 GHABRN COc1cc(OC)cc(OCC(=O)NCCSCc2ccc(Cl)cc2)c1 ZINC000218887720 570343066 /nfs/dbraw/zinc/34/30/66/570343066.db2.gz JVWPGYDXUGYCTQ-UHFFFAOYSA-N 0 0 395.908 3.786 40 0 GHABRN C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(c3c(cc1O)CNC3=O)O2 ZINC000604381399 570352327 /nfs/dbraw/zinc/35/23/27/570352327.db2.gz NSKHZIOXIKSFER-OPLSMLHISA-N 0 0 385.504 3.543 40 0 biogenic,in-vitro GHABRN CC[C@@H](Oc1ccccc1C)C(=O)NCc1nc(-c2cccc(OC)c2)no1 ZINC000219315559 570354355 /nfs/dbraw/zinc/35/43/55/570354355.db2.gz GDMUXAMVOIKDOT-QGZVFWFLSA-N 0 0 381.432 3.527 40 0 GHABRN COc1ccc(-c2noc(CN(C)C(=O)[C@H](C)Oc3cc(C)cc(C)c3)n2)cc1 ZINC000219553985 570366732 /nfs/dbraw/zinc/36/67/32/570366732.db2.gz ZQNQVXHGNSTJBT-INIZCTEOSA-N 0 0 395.459 3.788 40 0 GHABRN CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000219551773 570366747 /nfs/dbraw/zinc/36/67/47/570366747.db2.gz XMNLSBIHPFIBCJ-UZLBHIALSA-N 0 0 389.517 3.742 40 0 GHABRN CCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c1ccc(CC)cc1 ZINC000408629261 570381951 /nfs/dbraw/zinc/38/19/51/570381951.db2.gz SSMYLDZGBKWLSF-UHFFFAOYSA-N 0 0 375.446 3.835 40 0 GHABRN CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220131994 570382478 /nfs/dbraw/zinc/38/24/78/570382478.db2.gz IGCULIQEBAWHTE-INIZCTEOSA-N 0 0 388.533 3.913 40 0 GHABRN COc1cccc(N([C@@H](C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)c1 ZINC000220170209 570383337 /nfs/dbraw/zinc/38/33/37/570383337.db2.gz VHTRGGMIJHXLRV-HNNXBMFYSA-N 0 0 390.505 3.612 40 0 GHABRN CCCCc1ccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 ZINC000220308070 570384823 /nfs/dbraw/zinc/38/48/23/570384823.db2.gz XBIRTXPZJSDKRZ-HNNXBMFYSA-N 0 0 392.496 3.962 40 0 GHABRN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220470364 570386587 /nfs/dbraw/zinc/38/65/87/570386587.db2.gz FNPPIYMPRBKUKK-GFCCVEGCSA-N 0 0 384.860 3.581 40 0 GHABRN CCC[C@H](C)NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 ZINC000006946593 570391203 /nfs/dbraw/zinc/39/12/03/570391203.db2.gz ALHFLAGTHZNXQL-KRWDZBQOSA-N 0 0 388.533 3.804 40 0 GHABRN COCCn1c(-c2ccc(O)c(C(N)=O)c2)cs/c1=N\c1cc(C)ccc1C ZINC000014066703 570392589 /nfs/dbraw/zinc/39/25/89/570392589.db2.gz QGFSUXKZXZMTFO-LNVKXUELSA-N 0 0 397.500 3.517 40 0 GHABRN O=C([O-])[C@H]([NH2+]CCCCCCC[NH2+][C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000004758189 570404100 /nfs/dbraw/zinc/40/41/00/570404100.db2.gz GQZOPQRANHBKDU-OYRHEFFESA-N 0 0 398.503 3.768 40 0 GHABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222385949 570409384 /nfs/dbraw/zinc/40/93/84/570409384.db2.gz CNZNXCWIXRRZSR-SFHVURJKSA-N 0 0 396.531 3.835 40 0 GHABRN CSc1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 ZINC000222513799 570412997 /nfs/dbraw/zinc/41/29/97/570412997.db2.gz HUFFPUDITTXUCC-UHFFFAOYSA-N 0 0 384.910 3.710 40 0 GHABRN CC(C)Oc1ccc(N2C[C@@H](C(=O)Nc3ccc(N(C)C)cc3)CC2=O)cc1 ZINC000004898428 570415935 /nfs/dbraw/zinc/41/59/35/570415935.db2.gz FOIDMKYYFITTCF-INIZCTEOSA-N 0 0 381.476 3.531 40 0 GHABRN Cc1cccc(N(CCCC(=O)N(C)Cc2ccccc2)S(C)(=O)=O)c1C ZINC000222626688 570417671 /nfs/dbraw/zinc/41/76/71/570417671.db2.gz ZMCBJLSUPATOTC-UHFFFAOYSA-N 0 0 388.533 3.508 40 0 GHABRN COc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000222635345 570417955 /nfs/dbraw/zinc/41/79/55/570417955.db2.gz WVAOHHQBLNHGOM-INIZCTEOSA-N 0 0 381.881 3.713 40 0 GHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F ZINC000222655900 570419079 /nfs/dbraw/zinc/41/90/79/570419079.db2.gz NWXOMRSRKRWKKW-HXUWFJFHSA-N 0 0 388.458 3.839 40 0 GHABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1cccnc1 ZINC000222727046 570422622 /nfs/dbraw/zinc/42/26/22/570422622.db2.gz CXKDLIMLVUYCOE-VQTJNVASSA-N 0 0 377.517 3.546 40 0 GHABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1C ZINC000222849268 570428972 /nfs/dbraw/zinc/42/89/72/570428972.db2.gz IFYOSUKHWBUNKW-JOCHJYFZSA-N 0 0 396.531 3.878 40 0 GHABRN CCN(c1ccc(C(=O)NCc2cccc3ccccc32)cc1)S(C)(=O)=O ZINC000222861828 570429147 /nfs/dbraw/zinc/42/91/47/570429147.db2.gz BJHNRRLHFHKSTR-UHFFFAOYSA-N 0 0 382.485 3.556 40 0 GHABRN Cc1cc(S(=O)(=O)NCc2cccc3ccccc32)ccc1N1CCCC1=O ZINC000222867839 570429663 /nfs/dbraw/zinc/42/96/63/570429663.db2.gz NITYFTQTSSKTNB-UHFFFAOYSA-N 0 0 394.496 3.754 40 0 GHABRN CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1 ZINC000222902762 570430777 /nfs/dbraw/zinc/43/07/77/570430777.db2.gz WDHNICCNIXQXSY-JOCHJYFZSA-N 0 0 380.532 3.994 40 0 GHABRN CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000222914478 570431251 /nfs/dbraw/zinc/43/12/51/570431251.db2.gz OIIFAQAYIBVZEG-IAGOWNOFSA-N 0 0 388.533 3.589 40 0 GHABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl ZINC000222978359 570434627 /nfs/dbraw/zinc/43/46/27/570434627.db2.gz DYXKNKDYIQCJQZ-HNNXBMFYSA-N 0 0 390.886 3.965 40 0 GHABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(CC)cc1 ZINC000222983400 570434879 /nfs/dbraw/zinc/43/48/79/570434879.db2.gz MLIISLATAFCSGP-IBGZPJMESA-N 0 0 396.531 3.961 40 0 GHABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc(C)cc1 ZINC000222992387 570435368 /nfs/dbraw/zinc/43/53/68/570435368.db2.gz UWGSAFGGCMSUTD-IBGZPJMESA-N 0 0 382.504 3.707 40 0 GHABRN COc1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)c(OC)c1OC ZINC000005376213 570436264 /nfs/dbraw/zinc/43/62/64/570436264.db2.gz CGXVABFPYFUKMA-DHDCSXOGSA-N 0 0 387.413 3.659 40 0 GHABRN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C)c1 ZINC000223000604 570436419 /nfs/dbraw/zinc/43/64/19/570436419.db2.gz IIMSGVMLRAAXCP-LEWJYISDSA-N 0 0 392.528 3.800 40 0 GHABRN O=C(NCc1cccc2ccccc21)c1cnc2sc3c(n2c1=O)CCCC3 ZINC000223040328 570439171 /nfs/dbraw/zinc/43/91/71/570439171.db2.gz HRIGOXOKRFKUFP-UHFFFAOYSA-N 0 0 389.480 3.718 40 0 GHABRN O=C(Nc1ccccc1C(F)(F)F)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000005439234 570439355 /nfs/dbraw/zinc/43/93/55/570439355.db2.gz IGNGXJDASZEVGI-UHFFFAOYSA-N 0 0 398.406 3.888 40 0 GHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000223059851 570440772 /nfs/dbraw/zinc/44/07/72/570440772.db2.gz CODVLDMVDAOGMF-LJQANCHMSA-N 0 0 388.895 3.581 40 0 GHABRN CCN1CCN(c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2Cl)CC1 ZINC000005644237 570449838 /nfs/dbraw/zinc/44/98/38/570449838.db2.gz WPJLNFBKOAGAOJ-UHFFFAOYSA-N 0 0 385.122 3.791 40 0 GHABRN COc1ccc(Cc2nc3ccccc3n2S(=O)(=O)c2ccccc2)cc1 ZINC000035288768 570451564 /nfs/dbraw/zinc/45/15/64/570451564.db2.gz UPWLLYBBSMTJJL-UHFFFAOYSA-N 0 0 378.453 3.873 40 0 GHABRN COc1ccc(-c2cc(C)nc(SCC(=O)NCc3ccccc3)n2)cc1 ZINC000005744125 570454935 /nfs/dbraw/zinc/45/49/35/570454935.db2.gz APBIZDFTKBTDPI-UHFFFAOYSA-N 0 0 379.485 3.869 40 0 GHABRN COc1cc2c(cc1S(=O)(=O)NCCCOC1CCCCC1)CCCC2 ZINC000223334699 570458913 /nfs/dbraw/zinc/45/89/13/570458913.db2.gz IUNGDCDBFHVAJI-UHFFFAOYSA-N 0 0 381.538 3.592 40 0 GHABRN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(CO)o3)c2)cc1 ZINC000006027269 570464452 /nfs/dbraw/zinc/46/44/52/570464452.db2.gz KQMVULPWTVAEEJ-UHFFFAOYSA-N 0 0 382.441 3.574 40 0 GHABRN C[C@@H](CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000035313955 570468162 /nfs/dbraw/zinc/46/81/62/570468162.db2.gz OTPPREYODGAMKO-KWJFTMPMSA-N 0 0 379.504 3.577 40 0 GHABRN COc1ccc(S(=O)(=O)NCCOc2cccc3ccccc32)c(C)c1C ZINC000223575971 570472415 /nfs/dbraw/zinc/47/24/15/570472415.db2.gz IZHWTIGIKXPJKB-UHFFFAOYSA-N 0 0 385.485 3.823 40 0 GHABRN CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 ZINC000223594355 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COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)C2CCCCC2)C=C1C ZINC000030880541 560089890 /nfs/dbraw/zinc/08/98/90/560089890.db2.gz SYCFVIPEHUKRFT-ACRUOGEOSA-N 0 0 392.584 3.690 40 0 biogenic,in-vitro GHABRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(O)c(Cl)c3)C2=O)o1 ZINC000034853217 570210614 /nfs/dbraw/zinc/21/06/14/570210614.db2.gz QULYUSXXGCUKKF-VGOFMYFVSA-N 0 0 393.804 3.662 40 0 GHABRN Cc1cccc(C)c1Nc1cc(-c2ccccn2)nc(N[C@@H](CO)C(C)C)n1 ZINC000329009058 570211754 /nfs/dbraw/zinc/21/17/54/570211754.db2.gz LVGQJVZMVSXAKD-IBGZPJMESA-N 0 0 377.492 3.750 40 0 GHABRN C[C@@H](CO)Nc1nc(Nc2ccccc2C(F)(F)F)cc(-c2ccccc2)n1 ZINC000329043096 570214424 /nfs/dbraw/zinc/21/44/24/570214424.db2.gz SRICCEDBZCQYQY-ZDUSSCGKSA-N 0 0 388.393 3.543 40 0 GHABRN CCCC(=O)N1CC[C@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 ZINC000019766158 570217705 /nfs/dbraw/zinc/21/77/05/570217705.db2.gz VQDNULDRKOPXDH-AWEZNQCLSA-N 0 0 386.883 3.807 40 0 GHABRN COc1cc(NC(=S)NC(=O)c2cccs2)ccc1-c1ccc(CO)o1 ZINC000020152368 570244769 /nfs/dbraw/zinc/24/47/69/570244769.db2.gz BUEGNBFCIKHBCH-UHFFFAOYSA-N 0 0 388.470 3.636 40 0 GHABRN Cc1ccc(-n2c(O)c3c(-c4ccco4)nn(-c4ccccc4)c3c2O)cc1C ZINC000101460697 570283583 /nfs/dbraw/zinc/28/35/83/570283583.db2.gz DUAZFZNBTWKWRO-PZJWPPBQSA-N 0 0 385.423 3.679 40 0 GHABRN CC1(C)CN(C(=O)NCc2cnc(C(F)(F)F)nc2)CCc2ccccc21 ZINC000665505376 570299316 /nfs/dbraw/zinc/29/93/16/570299316.db2.gz RAPRZKNTBABGHI-UHFFFAOYSA-N 0 0 378.398 3.541 40 0 GHABRN O=S(=O)(NCCOc1ccc(Cl)cc1)c1ccc(Br)s1 ZINC000022277004 570311873 /nfs/dbraw/zinc/31/18/73/570311873.db2.gz CRFMZNFRCWAACY-UHFFFAOYSA-N 0 0 396.715 3.521 40 0 GHABRN Cc1ccc([C@H](C)NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 ZINC000022329027 570313561 /nfs/dbraw/zinc/31/35/61/570313561.db2.gz USYCHVJFLOJNKE-SFHVURJKSA-N 0 0 388.533 3.564 40 0 GHABRN CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000108751843 570313679 /nfs/dbraw/zinc/31/36/79/570313679.db2.gz JDLBRMDFVZDJKD-UHFFFAOYSA-N 0 0 394.515 3.915 40 0 GHABRN CC(C)(C)OC(=O)NCCCC(=O)c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214302 570314474 /nfs/dbraw/zinc/31/44/74/570314474.db2.gz IZTJFESNNHBNPA-UHFFFAOYSA-N 0 0 379.457 3.916 40 0 GHABRN Cc1cc(C)c(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)c(C)c1 ZINC000022400106 570316275 /nfs/dbraw/zinc/31/62/75/570316275.db2.gz VXHWTPGLMYAXMB-UHFFFAOYSA-N 0 0 380.554 3.607 40 0 GHABRN COc1ccc(OC)c([C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000072221903 570318593 /nfs/dbraw/zinc/31/85/93/570318593.db2.gz OZSGTXYFLMMORI-LJQANCHMSA-N 0 0 375.490 3.928 40 0 GHABRN Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)C1CCCCC1 ZINC000022508605 570318691 /nfs/dbraw/zinc/31/86/91/570318691.db2.gz IBTBNQIDMFIZNC-UHFFFAOYSA-N 0 0 392.565 3.964 40 0 GHABRN N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000072227278 570319023 /nfs/dbraw/zinc/31/90/23/570319023.db2.gz RNIIVAGDINZTNI-UONOGXRCSA-N 0 0 396.082 3.627 40 0 GHABRN Brc1cc(Br)c(OC[C@@H]2CO2)c(Br)c1 ZINC000003122836 570329329 /nfs/dbraw/zinc/32/93/29/570329329.db2.gz NXJGWHGJPITYOJ-LURJTMIESA-N 0 0 386.865 3.752 40 0 GHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)C)c2cccc(Cl)c2)cc1 ZINC000022275900 570330437 /nfs/dbraw/zinc/33/04/37/570330437.db2.gz HPZKCTCBSIYFJP-UHFFFAOYSA-N 0 0 394.924 3.758 40 0 GHABRN Cc1cccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)c1 ZINC000260588524 570345246 /nfs/dbraw/zinc/34/52/46/570345246.db2.gz KJLUTYSOUXXFMG-MSOLQXFVSA-N 0 0 388.533 3.644 40 0 GHABRN CC[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(OC)c(OC)c1 ZINC000219205646 570349770 /nfs/dbraw/zinc/34/97/70/570349770.db2.gz VOOPYXPYYIXVFJ-SFHVURJKSA-N 0 0 382.460 3.712 40 0 GHABRN COc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccccc3C(C)C)n2)cc1 ZINC000219300239 570352168 /nfs/dbraw/zinc/35/21/68/570352168.db2.gz FDSRNVYVRYWBCO-OAHLLOKOSA-N 0 0 395.459 3.952 40 0 GHABRN COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c(OC)c1 ZINC000057312925 570356113 /nfs/dbraw/zinc/35/61/13/570356113.db2.gz CYVVQTIXPPDSMF-UHFFFAOYSA-N 0 0 399.516 3.821 40 0 GHABRN CCOC(=O)C1CCN(C(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)CC1 ZINC000023403882 570361421 /nfs/dbraw/zinc/36/14/21/570361421.db2.gz ISHYXSXJRCMDOI-UHFFFAOYSA-N 0 0 399.491 3.594 40 0 GHABRN Clc1ccc(CN(CCN2CCOCC2)Cc2cccnc2)c(Cl)c1 ZINC000022931391 570379317 /nfs/dbraw/zinc/37/93/17/570379317.db2.gz QXUDFBAURFJXQK-UHFFFAOYSA-N 0 0 380.319 3.723 40 0 GHABRN CCc1ccc(N([C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000220273048 570384236 /nfs/dbraw/zinc/38/42/36/570384236.db2.gz RDIPHRHOKAPXDM-LBPRGKRZSA-N 0 0 398.887 3.835 40 0 GHABRN CCCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCC[C@H]1C ZINC000006947989 570391721 /nfs/dbraw/zinc/39/17/21/570391721.db2.gz AKRFVYWNFYORME-QGZVFWFLSA-N 0 0 386.565 3.966 40 0 GHABRN CCc1ccccc1NC(=O)CCNC(=O)c1ccc2c(c1)nc(Cl)n2C ZINC000222548672 570414202 /nfs/dbraw/zinc/41/42/02/570414202.db2.gz SUFAWMHFSBBJSN-UHFFFAOYSA-N 0 0 384.867 3.548 40 0 GHABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000222586760 570415747 /nfs/dbraw/zinc/41/57/47/570415747.db2.gz PWDMVUSRNZANIT-MRXNPFEDSA-N 0 0 388.508 3.531 40 0 GHABRN CC[C@@H](C)NC(=O)CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000007070258 570416722 /nfs/dbraw/zinc/41/67/22/570416722.db2.gz IZXRYYHXRRBNMH-SJORKVTESA-N 0 0 388.533 3.573 40 0 GHABRN CCN(CC)C(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 ZINC000222682270 570420385 /nfs/dbraw/zinc/42/03/85/570420385.db2.gz MGFLQBONNSBNTH-UHFFFAOYSA-N 0 0 388.533 3.752 40 0 GHABRN CN(C(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1 ZINC000222678352 570420437 /nfs/dbraw/zinc/42/04/37/570420437.db2.gz IZMKSPKTHVXZOU-UHFFFAOYSA-N 0 0 396.468 3.529 40 0 GHABRN CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2cccnc2)c1C ZINC000222772631 570424975 /nfs/dbraw/zinc/42/49/75/570424975.db2.gz JALJVLQGQOFYLW-NHCUHLMSSA-N 0 0 391.544 3.936 40 0 GHABRN O=C(COC(=O)CCC(=O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000007396203 570426009 /nfs/dbraw/zinc/42/60/09/570426009.db2.gz LEEZPWYEQNRKEO-UHFFFAOYSA-N 0 0 379.334 3.850 40 0 GHABRN Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)c1C ZINC000222817215 570427346 /nfs/dbraw/zinc/42/73/46/570427346.db2.gz WTKUGGZYJLADNC-UHFFFAOYSA-N 0 0 389.455 3.646 40 0 GHABRN CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000222821798 570427663 /nfs/dbraw/zinc/42/76/63/570427663.db2.gz BECBDYUNGZROBK-PMACEKPBSA-N 0 0 377.517 3.707 40 0 GHABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000007504879 570428256 /nfs/dbraw/zinc/42/82/56/570428256.db2.gz UVGCKVKFCNULSF-FQEVSTJZSA-N 0 0 388.895 3.855 40 0 GHABRN Nn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccc(Cl)c1 ZINC000005076991 570428332 /nfs/dbraw/zinc/42/83/32/570428332.db2.gz SRGCRDWQOHVYES-UHFFFAOYSA-N 0 0 394.287 3.697 40 0 GHABRN CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1cccnc1 ZINC000222867237 570429536 /nfs/dbraw/zinc/42/95/36/570429536.db2.gz NOWNNDMLGDNUTC-UXHICEINSA-N 0 0 377.517 3.958 40 0 GHABRN COc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1C ZINC000005329592 570434412 /nfs/dbraw/zinc/43/44/12/570434412.db2.gz RFJYBZDBQFGUPU-UHFFFAOYSA-N 0 0 388.489 3.548 40 0 GHABRN CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C ZINC000223001606 570436632 /nfs/dbraw/zinc/43/66/32/570436632.db2.gz UOOJVEMDAFRJOB-OAQYLSRUSA-N 0 0 396.531 3.852 40 0 GHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1 ZINC000223044379 570439555 /nfs/dbraw/zinc/43/95/55/570439555.db2.gz PQWLLNIYMJSICD-IBGZPJMESA-N 0 0 382.504 3.707 40 0 GHABRN CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc2c(c1)CCCC2 ZINC000223054498 570440188 /nfs/dbraw/zinc/44/01/88/570440188.db2.gz JZAQHIJRPDRAII-HXUWFJFHSA-N 0 0 386.517 3.818 40 0 GHABRN COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3SC)CC2)cc1 ZINC000223123016 570444732 /nfs/dbraw/zinc/44/47/32/570444732.db2.gz CGYCAAIQAWDXIA-UHFFFAOYSA-N 0 0 384.501 3.908 40 0 GHABRN Cc1cc(Cl)cc2c1NC(=O)[C@]2(O)CC(=O)c1ccc(Br)cc1 ZINC000005722341 570453117 /nfs/dbraw/zinc/45/31/17/570453117.db2.gz CIMUGHIYCUFSOP-KRWDZBQOSA-N 0 0 394.652 3.824 40 0 GHABRN CCOc1ccc(CNS(=O)(=O)c2c(C)cc(OC)cc2C)cc1OCC ZINC000223282548 570455766 /nfs/dbraw/zinc/45/57/66/570455766.db2.gz LTZPZXHJNNEFMX-UHFFFAOYSA-N 0 0 393.505 3.588 40 0 GHABRN CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000223344564 570460372 /nfs/dbraw/zinc/46/03/72/570460372.db2.gz JEHCEIRYHZCLKB-FYYLOGMGSA-N 0 0 394.515 3.852 40 0 GHABRN Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c(C)c1 ZINC000035311522 570466703 /nfs/dbraw/zinc/46/67/03/570466703.db2.gz LKHQPNAZXDHVHD-UHFFFAOYSA-N 0 0 398.484 3.936 40 0 GHABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1ccccc1 ZINC000223461357 570467276 /nfs/dbraw/zinc/46/72/76/570467276.db2.gz LPIQYPQGBWDBNU-HXUWFJFHSA-N 0 0 384.545 3.516 40 0 GHABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 ZINC000223504719 570469054 /nfs/dbraw/zinc/46/90/54/570469054.db2.gz JNBRGARYAJBHQB-HNNXBMFYSA-N 0 0 390.936 3.986 40 0 GHABRN Cc1ccc(OCC(=O)NC(=S)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006204857 570471898 /nfs/dbraw/zinc/47/18/98/570471898.db2.gz AFKXAMOOLPWWQN-BZSISCHUSA-N 0 0 386.561 3.969 40 0 GHABRN O=C(Nc1nnc(SCc2ccccc2)s1)[C@@H]1COc2ccccc2O1 ZINC000006219445 570472269 /nfs/dbraw/zinc/47/22/69/570472269.db2.gz KFZJTTANNKJRIU-HNNXBMFYSA-N 0 0 385.470 3.609 40 0 GHABRN COc1cc(C)c(S(=O)(=O)NCCOc2cccc3ccccc32)cc1C ZINC000223576134 570472398 /nfs/dbraw/zinc/47/23/98/570472398.db2.gz SMJDESOXWZSSJZ-UHFFFAOYSA-N 0 0 385.485 3.823 40 0 GHABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C)cc1C ZINC000223591396 570473288 /nfs/dbraw/zinc/47/32/88/570473288.db2.gz MTSWJGWHTIALCJ-IBGZPJMESA-N 0 0 382.504 3.544 40 0 GHABRN COc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=S)NC(C)=O)cc1 ZINC000006238403 570473451 /nfs/dbraw/zinc/47/34/51/570473451.db2.gz SSHIIVNATRVWEQ-UHFFFAOYSA-N 0 0 393.468 3.934 40 0 GHABRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 ZINC000223598928 570473545 /nfs/dbraw/zinc/47/35/45/570473545.db2.gz KRTDPXBGPNUCAR-QFIPXVFZSA-N 0 0 396.531 3.961 40 0 GHABRN CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 ZINC000223594149 570473684 /nfs/dbraw/zinc/47/36/84/570473684.db2.gz 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ZINC000072349214 211097382 /nfs/dbraw/zinc/09/73/82/211097382.db2.gz RQMMNYKBUOPBMT-QGZVFWFLSA-N 0 0 376.435 3.621 40 0 GHABRN CCO[C@@H](C)CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000072344731 211095933 /nfs/dbraw/zinc/09/59/33/211095933.db2.gz IXKNIAVTYVNYBN-SFHVURJKSA-N 0 0 382.504 3.629 40 0 GHABRN FC(F)(F)c1ccc(Cn2nc(Br)nc2Br)cc1 ZINC000071978800 211067000 /nfs/dbraw/zinc/06/70/00/211067000.db2.gz GGXQFENROUJSCU-UHFFFAOYSA-N 0 0 384.981 3.870 40 0 GHABRN Cc1cc(-c2nn3c(nnc3C(F)(F)F)s2)cc(Br)c1N ZINC000073634330 210747171 /nfs/dbraw/zinc/74/71/71/210747171.db2.gz IVOZLUGGSNYNMV-UHFFFAOYSA-N 0 0 378.177 3.525 40 0 GHABRN COc1ccc(OC)c(NC(=O)c2cc(Br)c(OC)c(OC)c2)c1 ZINC000408558182 532975506 /nfs/dbraw/zinc/97/55/06/532975506.db2.gz SCQCMIVIYPCAQP-UHFFFAOYSA-N 0 0 396.237 3.736 40 0 GHABRN COc1ccc(OCC(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000059960834 533005473 /nfs/dbraw/zinc/00/54/73/533005473.db2.gz SPLSKGZGQLIVQI-UHFFFAOYSA-N 0 0 376.412 3.965 40 0 GHABRN CCCOc1ccc([C@H]2[C@H](C(=O)OCC)C(=O)Nc3nc4ccccc4n32)cc1 ZINC000020637545 210354113 /nfs/dbraw/zinc/35/41/13/210354113.db2.gz IWKQBOMUVDNOIC-OALUTQOASA-N 0 0 393.443 3.546 40 0 GHABRN COc1cccc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)c1 ZINC000020611500 210352710 /nfs/dbraw/zinc/35/27/10/210352710.db2.gz WBILYNYZBHRUEY-UHFFFAOYSA-N 0 0 391.265 3.547 40 0 GHABRN CCc1nc(SCc2ccc(NC(=O)COc3ccc(C)cc3)cc2)n[nH]1 ZINC000020611444 210351694 /nfs/dbraw/zinc/35/16/94/210351694.db2.gz VKLKAEWYWZDTHP-UHFFFAOYSA-N 0 0 382.489 3.985 40 0 GHABRN CCOC(=O)c1c(C)c(C(=O)CC)sc1NC(=O)c1cc(C2CC2)on1 ZINC000020572802 210347560 /nfs/dbraw/zinc/34/75/60/210347560.db2.gz KAROUZWKRAAUCX-UHFFFAOYSA-N 0 0 376.434 3.944 40 0 GHABRN FC(F)(F)Oc1ccc(-c2c[nH]c([C@@H]3COCCN3C3CCOCC3)n2)cc1 ZINC000067898711 210346608 /nfs/dbraw/zinc/34/66/08/210346608.db2.gz ASIXWENWCDGYSG-KRWDZBQOSA-N 0 0 397.397 3.528 40 0 biogenic,in-vitro GHABRN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000020492574 210341936 /nfs/dbraw/zinc/34/19/36/210341936.db2.gz FLGHBKBZYKOVRT-FQEVSTJZSA-N 0 0 396.487 3.572 40 0 GHABRN COc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000020493492 210341327 /nfs/dbraw/zinc/34/13/27/210341327.db2.gz IVAYDBZVYIVGQR-GFCCVEGCSA-N 0 0 377.462 3.840 40 0 GHABRN O=C(NC1CCCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000020491505 210341386 /nfs/dbraw/zinc/34/13/86/210341386.db2.gz JPODWLYWRXNXGC-UHFFFAOYSA-N 0 0 378.881 3.813 40 0 GHABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000020483824 210339323 /nfs/dbraw/zinc/33/93/23/210339323.db2.gz BEHQXIXCIZQDGI-IBGZPJMESA-N 0 0 393.487 3.897 40 0 GHABRN CC(C)c1ccc(CCNC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cc1 ZINC000020459568 210337320 /nfs/dbraw/zinc/33/73/20/210337320.db2.gz DUTROQROOXSQKU-UHFFFAOYSA-N 0 0 394.924 3.807 40 0 GHABRN CC[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000020454169 210336629 /nfs/dbraw/zinc/33/66/29/210336629.db2.gz LXZOWWOXGJLKQZ-HXUWFJFHSA-N 0 0 389.455 3.826 40 0 GHABRN O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1ccccc1-n1ccnc1 ZINC000020454519 210335499 /nfs/dbraw/zinc/33/54/99/210335499.db2.gz UXPRYFWQIHFCPS-UHFFFAOYSA-N 0 0 396.299 3.799 40 0 GHABRN COc1ccc2[nH]c(SCC(=O)Nc3cccc(C(=O)OC(C)C)c3)nc2c1 ZINC000020197211 210321590 /nfs/dbraw/zinc/32/15/90/210321590.db2.gz CXLHGWPTQZOZRF-UHFFFAOYSA-N 0 0 399.472 3.868 40 0 GHABRN CC[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000020112652 210317949 /nfs/dbraw/zinc/31/79/49/210317949.db2.gz ZJVLPVTXIDABCG-HNAYVOBHSA-N 0 0 392.496 3.556 40 0 GHABRN O=S(=O)(Cc1ccc(Br)cc1)N[C@H]1CCCc2ccccc21 ZINC000020104934 210316429 /nfs/dbraw/zinc/31/64/29/210316429.db2.gz ODJVHERLUHWQBA-KRWDZBQOSA-N 0 0 380.307 3.946 40 0 GHABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c(C)c1 ZINC000020034933 210312401 /nfs/dbraw/zinc/31/24/01/210312401.db2.gz KEQXUEXACHYKCR-CYBMUJFWSA-N 0 0 380.897 3.819 40 0 GHABRN CC[C@H](NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccccc1 ZINC000020040420 210311873 /nfs/dbraw/zinc/31/18/73/210311873.db2.gz SMGVHKKRNXYLMP-PXNSSMCTSA-N 0 0 388.533 3.725 40 0 GHABRN O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)N[C@@H]1CCCc2ccccc21 ZINC000019937734 210309409 /nfs/dbraw/zinc/30/94/09/210309409.db2.gz IEOCJMURUXOZLC-LJQANCHMSA-N 0 0 393.874 3.827 40 0 GHABRN CCOC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 ZINC000019931922 210308981 /nfs/dbraw/zinc/30/89/81/210308981.db2.gz RRCBGWGIANSDQU-ZDUSSCGKSA-N 0 0 389.473 4.000 40 0 GHABRN CC(C)c1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1 ZINC000019930527 210309042 /nfs/dbraw/zinc/30/90/42/210309042.db2.gz KBNSWVDLVVRTEP-UHFFFAOYSA-N 0 0 386.517 3.822 40 0 GHABRN Cc1ccc(OCc2nnc(SCC(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)o2)cc1C ZINC000019928024 210308175 /nfs/dbraw/zinc/30/81/75/210308175.db2.gz AHVMMSQYIZOQTK-UXLLHSPISA-N 0 0 387.505 3.662 40 0 GHABRN CCc1nc(NC(=O)CN2CCC[C@H](c3nc4ccccc4n3C)C2)sc1C ZINC000019715449 210285515 /nfs/dbraw/zinc/28/55/15/210285515.db2.gz QJNFYCJYVQVEKW-HNNXBMFYSA-N 0 0 397.548 3.719 40 0 GHABRN Cc1nc(C)c(C(=O)N2CCC(CC(=O)N[C@H](C)c3ccccc3)CC2)s1 ZINC000019748629 210294149 /nfs/dbraw/zinc/29/41/49/210294149.db2.gz TYZZFOVIHNSWCP-CQSZACIVSA-N 0 0 385.533 3.880 40 0 GHABRN Cc1nc([C@H]2CCCCN2Cc2ccc3[nH]ccc3c2)ncc1C(=O)N(C)C ZINC000019753696 210293121 /nfs/dbraw/zinc/29/31/21/210293121.db2.gz NGNZSYYWURGSSU-HXUWFJFHSA-N 0 0 377.492 3.695 40 0 GHABRN CCC(=O)N1CCC[C@@H](c2nc(C)c3c(n2)N(CC2CCCCC2)C(=O)CC3)C1 ZINC000019739375 210290401 /nfs/dbraw/zinc/29/04/01/210290401.db2.gz AYNFVQKHDXRMGZ-GOSISDBHSA-N 0 0 398.551 3.761 40 0 GHABRN COc1ccc(OC)c(-c2[nH]nc(C(=O)Nc3ccc4ncn(C)c4c3)c2C)c1 ZINC000019718069 210288889 /nfs/dbraw/zinc/28/88/89/210288889.db2.gz DXMXWUXRKHIDOE-UHFFFAOYSA-N 0 0 391.431 3.541 40 0 GHABRN O=C(Nc1cccc(-n2cccn2)c1)c1cc(N2CCOCC2)nc2ccccc21 ZINC000019718085 210288916 /nfs/dbraw/zinc/28/89/16/210288916.db2.gz FLEXIVXLMSBXQI-UHFFFAOYSA-N 0 0 399.454 3.509 40 0 GHABRN CCc1nc(NC(=O)CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)sc1C ZINC000019719819 210288352 /nfs/dbraw/zinc/28/83/52/210288352.db2.gz NGVJKFOLMPYXNY-HNNXBMFYSA-N 0 0 397.548 3.783 40 0 GHABRN COc1ccccc1CCCn1cncc1-c1cc2c(cc1C)n(C)c(=O)n2C ZINC000019719955 210288388 /nfs/dbraw/zinc/28/83/88/210288388.db2.gz FDPJQXJEGLZSIF-UHFFFAOYSA-N 0 0 390.487 3.690 40 0 GHABRN COc1ccc([C@@H]2c3nc[nH]c3CCN2C(=O)c2c[nH]nc2-c2ccccc2)cc1 ZINC000019662960 210278950 /nfs/dbraw/zinc/27/89/50/210278950.db2.gz JGNZYSIETYJGCI-JOCHJYFZSA-N 0 0 399.454 3.596 40 0 GHABRN COc1ccc([C@H](NC(=O)Cn2c(=O)oc3ccc(Cl)cc32)C2CC2)cc1 ZINC000019659925 210278028 /nfs/dbraw/zinc/27/80/28/210278028.db2.gz GQPFGNOSCVXFDL-LJQANCHMSA-N 0 0 386.835 3.524 40 0 GHABRN Cc1cccc(C2(C(=O)N(Cc3ccccn3)C[C@@H]3CCCO3)CCOCC2)c1 ZINC000019654821 210276813 /nfs/dbraw/zinc/27/68/13/210276813.db2.gz DAJIVYRPMVNRBF-QFIPXVFZSA-N 0 0 394.515 3.646 40 0 GHABRN COc1ccc([C@@H](NC(=O)Cn2c(=O)oc3ccc(Cl)cc32)C2CC2)cc1 ZINC000019659923 210276660 /nfs/dbraw/zinc/27/66/60/210276660.db2.gz GQPFGNOSCVXFDL-IBGZPJMESA-N 0 0 386.835 3.524 40 0 GHABRN COCCc1ncc(CN(Cc2ccccn2)Cc2ccccc2Cl)cn1 ZINC000019593815 210275403 /nfs/dbraw/zinc/27/54/03/210275403.db2.gz BJCHNRCYJSIFDR-UHFFFAOYSA-N 0 0 382.895 3.916 40 0 GHABRN COc1ccc2cnc(C3CCN(C(=O)c4cnn(C)c4C)CC3)cc2c1C ZINC000019582698 210269812 /nfs/dbraw/zinc/26/98/12/210269812.db2.gz ZKXVYLNJYXBGLS-UHFFFAOYSA-N 0 0 378.476 3.614 40 0 GHABRN COC(=O)C1(C)[C@H]2C3C4[C@@H]1[C@H]1CCC[C@@H]1[C@@H]4[C@](C)(C(=O)OC)[C@@H]3[C@H]1CCC[C@H]21 ZINC000104294651 533186968 /nfs/dbraw/zinc/18/69/68/533186968.db2.gz VLVOBUAZWXZPNE-JLGZNFKMSA-N 0 0 386.532 3.929 40 0 GHABRN Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)on1 ZINC000012118411 221153597 /nfs/dbraw/zinc/15/35/97/221153597.db2.gz PLWGFKOYPZWXIJ-MRXNPFEDSA-N 0 0 380.423 3.528 40 0 GHABRN CCCc1ccc(C(=O)N2CCC[C@H](n3nc(-c4cccs4)ccc3=O)C2)o1 ZINC000012129423 221155468 /nfs/dbraw/zinc/15/54/68/221155468.db2.gz XNRGAKFIDQIWEP-HNNXBMFYSA-N 0 0 397.500 3.995 40 0 GHABRN O=C(c1cc(-c2cccs2)n[nH]1)N1C[C@H]2[C@H](CC[C@]2(O)c2ccccc2F)C1 ZINC000012123053 221156498 /nfs/dbraw/zinc/15/64/98/221156498.db2.gz LPVIYWWSEXDGRN-CGSMKXTHSA-N 0 0 397.475 3.647 40 0 GHABRN Cn1c2ccc(C(=O)N3[C@@H]4CC[C@H]3CC(c3ccc(F)cc3)C4)cc2n(C)c1=O ZINC000012181110 221162374 /nfs/dbraw/zinc/16/23/74/221162374.db2.gz AKPHJBPFRULFFL-JLYLLQBASA-N 0 0 393.462 3.567 40 0 GHABRN COc1ccc(/C=C/C(=O)N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1OC ZINC000408714404 533227804 /nfs/dbraw/zinc/22/78/04/533227804.db2.gz PZZIALCCFUOBBQ-XYOKQWHBSA-N 0 0 393.443 3.734 40 0 GHABRN COc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1OC ZINC000408627972 533319054 /nfs/dbraw/zinc/31/90/54/533319054.db2.gz OVPHXWZDZSTTAV-UHFFFAOYSA-N 0 0 391.449 3.579 40 0 GHABRN COc1cccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c1OC(C)C ZINC000409393624 533390574 /nfs/dbraw/zinc/39/05/74/533390574.db2.gz RLJMWXJSVSIQJJ-ODLFYWEKSA-N 0 0 394.496 3.870 40 0 GHABRN COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OC(C)=O ZINC000409320877 533473912 /nfs/dbraw/zinc/47/39/12/533473912.db2.gz CTQFRUKTZZXTHF-UYRXBGFRSA-N 0 0 397.452 3.900 40 0 GHABRN Cc1ccc(C)c(N(CCCC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c1 ZINC000014398255 533671605 /nfs/dbraw/zinc/67/16/05/533671605.db2.gz CGOIUXAGANYKLI-UHFFFAOYSA-N 0 0 396.459 3.767 40 0 GHABRN COc1ccccc1CN1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000096305881 136186165 /nfs/dbraw/zinc/18/61/65/136186165.db2.gz LPQKNPZHLYYDSK-UHFFFAOYSA-N 0 0 394.544 3.901 40 0 GHABRN CCCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cccnc1 ZINC000001361272 136193143 /nfs/dbraw/zinc/19/31/43/136193143.db2.gz PKEIGIJJIJVGIZ-UHFFFAOYSA-N 0 0 393.516 3.822 40 0 GHABRN COc1ccc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)OC3)c(OC)c1 ZINC000004944714 136194240 /nfs/dbraw/zinc/19/42/40/136194240.db2.gz WHWCTNRAAFUGFC-INIZCTEOSA-N 0 0 399.830 3.689 40 0 GHABRN C[C@@H]1CN(c2ncc3c(n2)CC(C)(C)C[C@@H]3NC(=O)CC(C)(C)C)C[C@@H](C)O1 ZINC000012240642 136200270 /nfs/dbraw/zinc/20/02/70/136200270.db2.gz WYPQXRTVTDZDGK-INMHGKMJSA-N 0 0 388.556 3.656 40 0 GHABRN Cc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccccc3)Oc3ccccc32)cc1 ZINC000222941607 136205288 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ZINC000022275301 570330359 /nfs/dbraw/zinc/33/03/59/570330359.db2.gz HASFANKSBMWYLK-GOSISDBHSA-N 0 0 388.533 3.722 40 0 GHABRN CC[C@H](C(=O)Nc1cc(C)cc(C)c1)N(c1ccccc1F)S(C)(=O)=O ZINC000113967052 570338026 /nfs/dbraw/zinc/33/80/26/570338026.db2.gz NBQDPMLYMKWPEA-QGZVFWFLSA-N 0 0 378.469 3.626 40 0 GHABRN CC[C@H](NC(=O)[C@@H](C)N(c1cccc(F)c1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000113967487 570338056 /nfs/dbraw/zinc/33/80/56/570338056.db2.gz FNIYDHQDNVBGLY-BEFAXECRSA-N 0 0 392.496 3.556 40 0 GHABRN COc1ccc(/C=C/C(=O)NC(=S)Nc2c3nsnc3ccc2C)cc1 ZINC000408574460 570342188 /nfs/dbraw/zinc/34/21/88/570342188.db2.gz QWIVVLRREOXQII-UXBLZVDNSA-N 0 0 384.486 3.535 40 0 GHABRN CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000218963293 570344674 /nfs/dbraw/zinc/34/46/74/570344674.db2.gz IMLUWWRVMFRMOC-HXUWFJFHSA-N 0 0 389.517 3.860 40 0 GHABRN COc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1Br ZINC000022453393 570346877 /nfs/dbraw/zinc/34/68/77/570346877.db2.gz OTCAXVBJTLBINT-MRXNPFEDSA-N 0 0 396.306 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CCCCOc1cccc(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)c1 ZINC000408629248 570382044 /nfs/dbraw/zinc/38/20/44/570382044.db2.gz RUILFVOTQWOXNW-UHFFFAOYSA-N 0 0 395.503 3.786 40 0 GHABRN CCSc1ccccc1NC(=O)[C@H](C)N(c1cccc(F)c1)S(C)(=O)=O ZINC000220487238 570387022 /nfs/dbraw/zinc/38/70/22/570387022.db2.gz DHCNQLPMPWBWLO-ZDUSSCGKSA-N 0 0 396.509 3.731 40 0 GHABRN CC[C@@H](C(=O)NC(C(C)C)C(C)C)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000220565138 570388586 /nfs/dbraw/zinc/38/85/86/570388586.db2.gz FEVVMMKWUYGNFC-SFHVURJKSA-N 0 0 382.570 3.645 40 0 GHABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C ZINC000222440743 570410861 /nfs/dbraw/zinc/41/08/61/570410861.db2.gz NIMVDVGQLUSQHA-SFHVURJKSA-N 0 0 382.504 3.661 40 0 GHABRN CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 ZINC000222444672 570410975 /nfs/dbraw/zinc/41/09/75/570410975.db2.gz UHXKADPWKRGHIL-GOSISDBHSA-N 0 0 384.545 3.700 40 0 GHABRN Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1N(C)S(C)(=O)=O ZINC000222455124 570411156 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CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1F ZINC000223142113 570446715 /nfs/dbraw/zinc/44/67/15/570446715.db2.gz QGHRVWHATWJZOC-HOTGVXAUSA-N 0 0 388.458 3.839 40 0 GHABRN C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)CCC2 ZINC000223184343 570448554 /nfs/dbraw/zinc/44/85/54/570448554.db2.gz BCQBHARYCUHTIK-GFCCVEGCSA-N 0 0 380.307 3.977 40 0 GHABRN CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F ZINC000223195410 570449461 /nfs/dbraw/zinc/44/94/61/570449461.db2.gz DVIYQVGLYFYKCO-GOSISDBHSA-N 0 0 376.859 3.575 40 0 GHABRN CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)NC)cc1 ZINC000223232130 570451478 /nfs/dbraw/zinc/45/14/78/570451478.db2.gz HJDSXROHDYEHRW-OAQYLSRUSA-N 0 0 384.495 3.874 40 0 GHABRN COc1ccc2[nH]c3nc(SCC(=O)Nc4c(C)cccc4C)nnc3c2c1 ZINC000035312236 570467354 /nfs/dbraw/zinc/46/73/54/570467354.db2.gz KNKIXVDJGPQNAW-UHFFFAOYSA-N 0 0 393.472 3.862 40 0 GHABRN CCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C[C@@H]1CCCO1 ZINC000035312412 570467385 /nfs/dbraw/zinc/46/73/85/570467385.db2.gz ONKQKULTJTYJPZ-HNNXBMFYSA-N 0 0 394.928 3.794 40 0 GHABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 ZINC000223470201 570467781 /nfs/dbraw/zinc/46/77/81/570467781.db2.gz YKZZKWQSHYMILS-SFHVURJKSA-N 0 0 382.504 3.571 40 0 GHABRN CC(=O)c1ccc(S(=O)(=O)N(c2ccccc2F)C2=NCCCS2)cc1 ZINC000035313193 570467778 /nfs/dbraw/zinc/46/77/78/570467778.db2.gz ORLCXFYYWYVGBO-UHFFFAOYSA-N 0 0 392.477 3.717 40 0 GHABRN CCc1ccc([C@H](C)NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000223486056 570468341 /nfs/dbraw/zinc/46/83/41/570468341.db2.gz GTWMJVDFOMDCNZ-KRWDZBQOSA-N 0 0 388.533 3.509 40 0 GHABRN CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1cccc(C)c1 ZINC000223500318 570468702 /nfs/dbraw/zinc/46/87/02/570468702.db2.gz FHIAJHKZWHSPCA-OAQYLSRUSA-N 0 0 398.572 3.824 40 0 GHABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000223558195 570471071 /nfs/dbraw/zinc/47/10/71/570471071.db2.gz DYWZBFAMISDMKT-FQEVSTJZSA-N 0 0 396.531 3.750 40 0 GHABRN CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1Cl 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COc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)c1cc(C)c(OC)cc1C ZINC000223992096 570493268 /nfs/dbraw/zinc/49/32/68/570493268.db2.gz LWOZFIAFHUGZFF-GOSISDBHSA-N 0 0 375.490 3.677 40 0 GHABRN Cc1cc2c(cc1Br)C(=O)[C@](CO)(Sc1ccccc1)CO2 ZINC000006787672 570493330 /nfs/dbraw/zinc/49/33/30/570493330.db2.gz ZGWKTAFNKRATAA-QGZVFWFLSA-N 0 0 379.275 3.856 40 0 GHABRN S=C(Nc1ncc(Br)cc1Br)NC1CCCC1 ZINC000224032933 570495525 /nfs/dbraw/zinc/49/55/25/570495525.db2.gz QCGDHPWYILZECJ-UHFFFAOYSA-N 0 0 379.121 3.836 40 0 GHABRN Cc1cc(C)cc(OCCNS(=O)(=O)Cc2cccc(Br)c2)c1 ZINC000224108286 570499169 /nfs/dbraw/zinc/49/91/69/570499169.db2.gz IHLKYYSNRVWQJC-UHFFFAOYSA-N 0 0 398.322 3.564 40 0 GHABRN CCOc1ccc(CNC(=S)Nc2ccc(OC)c(OC)c2)cc1OCC ZINC000006935362 570499440 /nfs/dbraw/zinc/49/94/40/570499440.db2.gz XHMKBGGOLSNLDD-UHFFFAOYSA-N 0 0 390.505 3.988 40 0 GHABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)ccc1C ZINC000224125077 570499743 /nfs/dbraw/zinc/49/97/43/570499743.db2.gz DCTMMHIIOSOMKT-HXUWFJFHSA-N 0 0 382.504 3.626 40 0 GHABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(N2CCCCC2)cc1 ZINC000006954670 570499786 /nfs/dbraw/zinc/49/97/86/570499786.db2.gz IHHAQPSBTRAVGN-UHFFFAOYSA-N 0 0 399.516 3.821 40 0 GHABRN COC(=O)c1cc(NS(=O)(=O)c2cc(C)c(OC)cc2C)ccc1Cl ZINC000224131600 570500194 /nfs/dbraw/zinc/50/01/94/570500194.db2.gz MXBNJXZLMCITRY-UHFFFAOYSA-N 0 0 383.853 3.553 40 0 GHABRN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(F)cc3)c2)c1 ZINC000007230260 570501687 /nfs/dbraw/zinc/50/16/87/570501687.db2.gz LNWZOOKIQKZFPZ-UHFFFAOYSA-N 0 0 398.459 3.865 40 0 GHABRN COc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224167750 570501890 /nfs/dbraw/zinc/50/18/90/570501890.db2.gz QKMDRUPRKBTKEQ-IBGZPJMESA-N 0 0 396.531 3.736 40 0 GHABRN COc1cc(C)c(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1C ZINC000224175296 570502182 /nfs/dbraw/zinc/50/21/82/570502182.db2.gz JYPVBSUSFCBVLP-INIZCTEOSA-N 0 0 375.490 3.893 40 0 GHABRN COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000872584 570503038 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CC[C@H](C(=O)NCC1=CCCCC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224300207 570508145 /nfs/dbraw/zinc/50/81/45/570508145.db2.gz RJGRLWMKWQZXSQ-QGZVFWFLSA-N 0 0 384.929 3.501 40 0 GHABRN C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 ZINC000007608600 570510154 /nfs/dbraw/zinc/51/01/54/570510154.db2.gz YTXSIKIZKKWRNG-CQSZACIVSA-N 0 0 392.908 3.616 40 0 GHABRN CN(c1ccc(Cl)c(C(=O)NC2CC2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224346778 570510217 /nfs/dbraw/zinc/51/02/17/570510217.db2.gz DZNZBJZVOQIQNX-UHFFFAOYSA-N 0 0 399.299 3.711 40 0 GHABRN O=S1(=O)C[C@H]2[C@@H](C1)N=C(SCc1ccccc1)N2c1cccc(Cl)c1 ZINC000032640612 570512713 /nfs/dbraw/zinc/51/27/13/570512713.db2.gz NNVVUKJZHWGQQI-SJORKVTESA-N 0 0 392.933 3.615 40 0 GHABRN O=C(COc1cccc2c1CCCC2)NCc1nc(-c2ccccc2Cl)no1 ZINC000224483405 570515255 /nfs/dbraw/zinc/51/52/55/570515255.db2.gz RNHZWNKLHOGVDQ-UHFFFAOYSA-N 0 0 397.862 3.964 40 0 GHABRN CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1 ZINC000224519001 570516354 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CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1 ZINC000224774384 570530288 /nfs/dbraw/zinc/53/02/88/570530288.db2.gz ZYSYMFYMCHIULC-LJQANCHMSA-N 0 0 382.504 3.626 40 0 GHABRN COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)c1 ZINC000224826799 570532686 /nfs/dbraw/zinc/53/26/86/570532686.db2.gz ULEPDQJKKGNBQB-RTBURBONSA-N 0 0 381.457 3.869 40 0 GHABRN CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000224840274 570533123 /nfs/dbraw/zinc/53/31/23/570533123.db2.gz YDOJXECHLMZQKG-UHFFFAOYSA-N 0 0 387.379 3.692 40 0 GHABRN Cc1ccc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)c(C)c1 ZINC000000917179 570533429 /nfs/dbraw/zinc/53/34/29/570533429.db2.gz FAWXAYOGCNFFHU-UHFFFAOYSA-N 0 0 377.473 3.864 40 0 GHABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 ZINC000224847994 570533744 /nfs/dbraw/zinc/53/37/44/570533744.db2.gz ZXRJCHLKJLZPKT-INIZCTEOSA-N 0 0 388.508 3.861 40 0 GHABRN COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3OC)o2)c(OC)c1 ZINC000224868738 570535123 /nfs/dbraw/zinc/53/51/23/570535123.db2.gz 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570539289 /nfs/dbraw/zinc/53/92/89/570539289.db2.gz WPLDYZMCAOTJJH-UHFFFAOYSA-N 0 0 384.505 3.550 40 0 GHABRN CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)c(C)c1 ZINC000224968784 570540536 /nfs/dbraw/zinc/54/05/36/570540536.db2.gz OIFBMJNWMZBFDS-UHFFFAOYSA-N 0 0 397.880 3.659 40 0 GHABRN COCCNC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000224987190 570541817 /nfs/dbraw/zinc/54/18/17/570541817.db2.gz UEKNIKUVRYICTL-UHFFFAOYSA-N 0 0 390.867 3.512 40 0 GHABRN CCc1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)N[C@H](C)CC)cc1 ZINC000225000438 570542623 /nfs/dbraw/zinc/54/26/23/570542623.db2.gz FPIWSAJKUNCKML-MOPGFXCFSA-N 0 0 396.531 3.960 40 0 GHABRN CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1C ZINC000225070219 570546613 /nfs/dbraw/zinc/54/66/13/570546613.db2.gz NOPRWGBDGWEBBS-FQEVSTJZSA-N 0 0 396.531 3.668 40 0 GHABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1 ZINC000225168100 570553453 /nfs/dbraw/zinc/55/34/53/570553453.db2.gz PYPATJYLSPPQRQ-KRWDZBQOSA-N 0 0 386.467 3.538 40 0 GHABRN CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000225177229 570553978 /nfs/dbraw/zinc/55/39/78/570553978.db2.gz QDFGSCFDNOYNMU-UHFFFAOYSA-N 0 0 396.896 3.631 40 0 GHABRN CC(C)[C@H](C)NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl ZINC000225215465 570557201 /nfs/dbraw/zinc/55/72/01/570557201.db2.gz NHJUAKNAQCFIOZ-ZDUSSCGKSA-N 0 0 380.897 3.915 40 0 GHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 ZINC000225245085 570558894 /nfs/dbraw/zinc/55/88/94/570558894.db2.gz GLEVMXPZGSUDLD-JKSUJKDBSA-N 0 0 388.458 3.839 40 0 GHABRN Cc1cc(O[C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)cc(C)c1Cl ZINC000225256857 570559901 /nfs/dbraw/zinc/55/99/01/570559901.db2.gz DPOJUTGVEHXJSH-ZBFHGGJFSA-N 0 0 375.852 3.680 40 0 GHABRN COc1ccc([C@@H]2Cc3c(c(C)nn3-c3nc(C)cc(C)n3)C(=O)C2)cc1OC ZINC000009936307 570562855 /nfs/dbraw/zinc/56/28/55/570562855.db2.gz PZWQGZPVTGIZJQ-MRXNPFEDSA-N 0 0 392.459 3.517 40 0 GHABRN CCOc1ccc([C@@]2(C)NC(=S)N(c3ccc(Br)cc3)N2)cc1 ZINC000225344467 570565851 /nfs/dbraw/zinc/56/58/51/570565851.db2.gz KMODXXYFQUEOCA-KRWDZBQOSA-N 0 0 392.322 3.920 40 0 GHABRN CNc1nc(N2CCN(c3cccc(Cl)c3)CC2)nc2c1C(=O)CC(C)(C)C2 ZINC000010157657 570566362 /nfs/dbraw/zinc/56/63/62/570566362.db2.gz UQJNRDKXSMMOTI-UHFFFAOYSA-N 0 0 399.926 3.653 40 0 GHABRN O=C1C[C@H](Nc2ccccc2Br)C(=O)N1c1cccc(Cl)c1 ZINC000036635800 570566538 /nfs/dbraw/zinc/56/65/38/570566538.db2.gz IOBHFHNYUCEDKQ-AWEZNQCLSA-N 0 0 379.641 3.847 40 0 GHABRN CCc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000036666492 570567339 /nfs/dbraw/zinc/56/73/39/570567339.db2.gz GUWGAZVAAOYJMJ-MRXNPFEDSA-N 0 0 386.517 3.525 40 0 GHABRN CCN(CC)C(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(C)cc1C ZINC000001328601 570567528 /nfs/dbraw/zinc/56/75/28/570567528.db2.gz UBLYZRLPGLJEQS-UHFFFAOYSA-N 0 0 395.532 3.907 40 0 GHABRN CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O ZINC000010324646 570569043 /nfs/dbraw/zinc/56/90/43/570569043.db2.gz KWHZRKKGYBXSSL-CQSZACIVSA-N 0 0 386.517 3.774 40 0 GHABRN CC[C@H](C(=O)NCc1cc(Cl)c2c(c1)OCCCO2)n1nc(C)cc1C ZINC000036752601 570570001 /nfs/dbraw/zinc/57/00/01/570570001.db2.gz CKKYWLFELGSYOL-MRXNPFEDSA-N 0 0 377.872 3.582 40 0 GHABRN COc1cccc(OC)c1NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1C ZINC000001341851 570570876 /nfs/dbraw/zinc/57/08/76/570570876.db2.gz LKIATJOZFULGTA-MRXNPFEDSA-N 0 0 383.448 3.647 40 0 GHABRN Cc1ccc(-n2ncc3c2ncnc3SCC(=O)Nc2nccs2)cc1C ZINC000001346455 570572161 /nfs/dbraw/zinc/57/21/61/570572161.db2.gz AIIVPXSXURSEBX-UHFFFAOYSA-N 0 0 396.501 3.620 40 0 GHABRN Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)[C@@H]2CCCO2)cc1 ZINC000001346766 570572698 /nfs/dbraw/zinc/57/26/98/570572698.db2.gz FOVTZZONZPYKHR-NRFANRHFSA-N 0 0 390.483 3.853 40 0 GHABRN Cc1nc2c(nnn2Cc2ccccc2F)c(Nc2cccc([C@H](C)O)c2)n1 ZINC000001351268 570573084 /nfs/dbraw/zinc/57/30/84/570573084.db2.gz WTSHBLKPVMMQKX-LBPRGKRZSA-N 0 0 378.411 3.514 40 0 GHABRN COc1ccccc1CNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C ZINC000225433353 570573699 /nfs/dbraw/zinc/57/36/99/570573699.db2.gz CRCDMAHBOJHVAL-ZHZULCJRSA-N 0 0 390.439 3.684 40 0 GHABRN COc1ccc(-c2nnc(N(C)C(=O)c3cccc(OC)c3OC)s2)cc1 ZINC000001356487 570574575 /nfs/dbraw/zinc/57/45/75/570574575.db2.gz CSEUWUZMAZTVMV-UHFFFAOYSA-N 0 0 385.445 3.508 40 0 GHABRN CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(-n3ccnc3)cc2)c1 ZINC000225454509 570575826 /nfs/dbraw/zinc/57/58/26/570575826.db2.gz SKAZHMNRTPDQAR-UHFFFAOYSA-N 0 0 394.500 3.844 40 0 GHABRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1 ZINC000225457736 570576242 /nfs/dbraw/zinc/57/62/42/570576242.db2.gz DBCOPBLAAWWDPT-RXVVDRJESA-N 0 0 382.504 3.788 40 0 GHABRN Cc1ccc2cc(CN(Cc3ccco3)C(=O)C3CCC3)c3nnnn3c2c1C ZINC000001367412 570580129 /nfs/dbraw/zinc/58/01/29/570580129.db2.gz MKTFVUCNVUZAMK-UHFFFAOYSA-N 0 0 389.459 3.816 40 0 GHABRN Cc1ccc(CNC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)cc1 ZINC000001368698 570580738 /nfs/dbraw/zinc/58/07/38/570580738.db2.gz CUJDJFPAIBYNMQ-UHFFFAOYSA-N 0 0 392.528 3.953 40 0 GHABRN O=C(COc1ccc(Cl)cc1Cl)NCc1ccccc1-n1ccnc1 ZINC000038752655 570581403 /nfs/dbraw/zinc/58/14/03/570581403.db2.gz BTAIYWJUIYRRJK-UHFFFAOYSA-N 0 0 376.243 3.874 40 0 GHABRN CC(=O)c1cccc(NC(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)c1 ZINC000001380770 570583545 /nfs/dbraw/zinc/58/35/45/570583545.db2.gz MOVUKQDWMLUGEQ-UHFFFAOYSA-N 0 0 381.411 3.642 40 0 GHABRN COc1cc(OC)cc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)c1 ZINC000001380403 570583570 /nfs/dbraw/zinc/58/35/70/570583570.db2.gz BUDQJHRBQVIYCO-UHFFFAOYSA-N 0 0 397.450 3.978 40 0 GHABRN CCc1ccc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)cc1 ZINC000225529919 570584538 /nfs/dbraw/zinc/58/45/38/570584538.db2.gz CAAPLRJGSFPABY-LJQANCHMSA-N 0 0 396.531 3.878 40 0 GHABRN CC[C@@H](NS(=O)(=O)c1ccc(C)c(C(=O)OC)c1)c1ccc(C)cc1C ZINC000225590296 570591900 /nfs/dbraw/zinc/59/19/00/570591900.db2.gz PESVDZFEPPHVOE-LJQANCHMSA-N 0 0 375.490 3.828 40 0 GHABRN COc1ccc(CN(C)C(=O)Cc2cccc(Br)c2)cc1OC ZINC000225623084 570595812 /nfs/dbraw/zinc/59/58/12/570595812.db2.gz PMDWGMFHFYBEFV-UHFFFAOYSA-N 0 0 378.266 3.667 40 0 GHABRN COc1cccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@H](C)C(=O)NC(C)C)c1 ZINC000225666208 570600124 /nfs/dbraw/zinc/60/01/24/570600124.db2.gz SELIPKCGLLAXLK-LJQANCHMSA-N 0 0 396.531 3.796 40 0 GHABRN COc1cc(C)c(C(=O)NCc2ccccc2CN2CCOCC2)cc1C(C)C ZINC000225669136 570600519 /nfs/dbraw/zinc/60/05/19/570600519.db2.gz QYGHQZKYAWIZLI-UHFFFAOYSA-N 0 0 396.531 3.889 40 0 GHABRN CCCCCn1ccc2nc3nc(C)nn3c(-c3ccccc3OC)c2c1=O ZINC000040398441 570602045 /nfs/dbraw/zinc/60/20/45/570602045.db2.gz BVLKWYFLWXNJPI-UHFFFAOYSA-N 0 0 377.448 3.613 40 0 GHABRN COc1ccc2nc(C)c(C(=O)N3CCN(c4ccccc4OC)CC3)cc2c1 ZINC000029688495 570602735 /nfs/dbraw/zinc/60/27/35/570602735.db2.gz UBRXVXLYWKOOTE-UHFFFAOYSA-N 0 0 391.471 3.523 40 0 GHABRN CC[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)c1ccc(C)c(C)c1 ZINC000225682356 570602875 /nfs/dbraw/zinc/60/28/75/570602875.db2.gz NRKRSELXJGVBHD-INIZCTEOSA-N 0 0 390.530 3.646 40 0 GHABRN COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(C(=O)N(C)C)cc1 ZINC000225705435 570606571 /nfs/dbraw/zinc/60/65/71/570606571.db2.gz 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ZINC000012148506 570617796 /nfs/dbraw/zinc/61/77/96/570617796.db2.gz ZCGHOUSWJXZKSH-NRFANRHFSA-N 0 0 387.487 3.608 40 0 GHABRN CCn1c2cc(C)sc2c2cnn(CC(=O)N3[C@H](C)CCC[C@H]3C)c(=O)c21 ZINC000012156863 570618540 /nfs/dbraw/zinc/61/85/40/570618540.db2.gz CUIYMLLAZJNZNW-CHWSQXEVSA-N 0 0 386.521 3.531 40 0 GHABRN Cn1c(C(=O)O[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc2sccc21 ZINC000004092616 570618629 /nfs/dbraw/zinc/61/86/29/570618629.db2.gz QQDPATYOVFTAHM-LJQANCHMSA-N 0 0 397.500 3.982 40 0 GHABRN COC(=O)c1ccc(OC)c(NC(=O)COc2cccc(C(F)(F)F)c2)c1 ZINC000225814574 570620669 /nfs/dbraw/zinc/62/06/69/570620669.db2.gz PHOZVKNSDPNGNF-UHFFFAOYSA-N 0 0 383.322 3.518 40 0 GHABRN COc1ccccc1CN(C)S(=O)(=O)c1cc(C(C)C)c(OC)cc1C ZINC000225827788 570622578 /nfs/dbraw/zinc/62/25/78/570622578.db2.gz KRVORHYSZBASGU-UHFFFAOYSA-N 0 0 377.506 3.956 40 0 GHABRN COCCn1nnnc1[C@@H](c1ccc(C)cc1)N1CCCC2(CCCCC2)C1 ZINC000004230452 570624223 /nfs/dbraw/zinc/62/42/23/570624223.db2.gz LCVFFVOYIJHOAV-HXUWFJFHSA-N 0 0 383.540 3.764 40 0 GHABRN CC(=O)N1c2ccc(NC(=O)c3c(C)onc3-c3ccncc3)cc2C[C@H]1C ZINC000012204344 570625417 /nfs/dbraw/zinc/62/54/17/570625417.db2.gz ZQPYJONGXPUAAT-GFCCVEGCSA-N 0 0 376.416 3.595 40 0 GHABRN COc1ccccc1NCc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000012222943 570628417 /nfs/dbraw/zinc/62/84/17/570628417.db2.gz VDYSKRKLZGDPAJ-UHFFFAOYSA-N 0 0 378.407 3.782 40 0 GHABRN COc1ccc(CC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1C ZINC000225872767 570629152 /nfs/dbraw/zinc/62/91/52/570629152.db2.gz CKYIFZWIIXEDAP-UHFFFAOYSA-N 0 0 385.851 3.908 40 0 GHABRN CC(C)(C)NC(=S)Nc1nc(N2CCCC2)cc(N2CCCCCC2)n1 ZINC000225894180 570631315 /nfs/dbraw/zinc/63/13/15/570631315.db2.gz AINLAOHFVPAQFX-UHFFFAOYSA-N 0 0 376.574 3.542 40 0 GHABRN CC(C)c1nc(Cc2ccc(NC(=O)c3ccc4c(c3)ncn4C)cc2)no1 ZINC000225891525 570631333 /nfs/dbraw/zinc/63/13/33/570631333.db2.gz MQZQROFVEAWRIQ-UHFFFAOYSA-N 0 0 375.432 3.923 40 0 GHABRN Cc1ccc(CC(=O)N2CCC[C@@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)cc1 ZINC000012256780 570631387 /nfs/dbraw/zinc/63/13/87/570631387.db2.gz DAFSWYDSUMVIKA-GOSISDBHSA-N 0 0 388.471 3.501 40 0 GHABRN C[C@H]1CCCN(c2cc(C(F)(F)F)nc(NC(=S)NC(C)(C)C)n2)C1 ZINC000225896387 570631805 /nfs/dbraw/zinc/63/18/05/570631805.db2.gz BRMNMHIHQKPYKD-JTQLQIEISA-N 0 0 375.464 3.817 40 0 GHABRN COc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CCC(C)CC2)cc1 ZINC000004847680 570634478 /nfs/dbraw/zinc/63/44/78/570634478.db2.gz OQZPATWJWGFKTJ-JOCHJYFZSA-N 0 0 391.519 3.746 40 0 GHABRN C[C@@H]1CCCN(C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)C1 ZINC000004848491 570634903 /nfs/dbraw/zinc/63/49/03/570634903.db2.gz AQAAYXMJQQETOU-GFCCVEGCSA-N 0 0 381.885 3.653 40 0 GHABRN CC(C)COc1ccc(NC(=O)C2(C)COC(=O)OC2)cc1C(F)(F)F ZINC000225953717 570636333 /nfs/dbraw/zinc/63/63/33/570636333.db2.gz MXYYMRISUPQZSU-UHFFFAOYSA-N 0 0 375.343 3.852 40 0 GHABRN Cc1cc(Sc2ncccn2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 ZINC000225963195 570636782 /nfs/dbraw/zinc/63/67/82/570636782.db2.gz CTBJSGAELBLZCT-CYBMUJFWSA-N 0 0 382.518 3.774 40 0 GHABRN CCOC(=O)c1cc(C(=O)C(C)(C)C)nn(-c2cccc(C(F)(F)F)c2)c1=O ZINC000225969342 570637301 /nfs/dbraw/zinc/63/73/01/570637301.db2.gz SXMBJNJPKCURNZ-UHFFFAOYSA-N 0 0 396.365 3.657 40 0 GHABRN CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1N ZINC000004856100 570638366 /nfs/dbraw/zinc/63/83/66/570638366.db2.gz BSBSNTMXMCRSGD-UHFFFAOYSA-N 0 0 381.505 3.895 40 0 GHABRN CCc1ccc(NC(=S)N2CCC(NC(=O)c3ccccc3OC)CC2)cc1 ZINC000004857592 570638766 /nfs/dbraw/zinc/63/87/66/570638766.db2.gz YGPRQQQUYBMVMJ-UHFFFAOYSA-N 0 0 397.544 3.849 40 0 GHABRN CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccoc1C ZINC000004860559 570640119 /nfs/dbraw/zinc/64/01/19/570640119.db2.gz KTYIRODDPBJBNN-UHFFFAOYSA-N 0 0 386.477 3.914 40 0 GHABRN Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1C[C@H]1CCCO1 ZINC000004860320 570640131 /nfs/dbraw/zinc/64/01/31/570640131.db2.gz DWOUNSFXRQMYNZ-MRXNPFEDSA-N 0 0 398.488 3.756 40 0 GHABRN Cc1occc1-c1nnc(SCC(=O)N2CCC(C)CC2)n1CC(C)C ZINC000004860278 570640208 /nfs/dbraw/zinc/64/02/08/570640208.db2.gz 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570654238 /nfs/dbraw/zinc/65/42/38/570654238.db2.gz CQWXYTKROUHFQL-UHFFFAOYSA-N 0 0 383.521 3.953 40 0 GHABRN C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)nc1CO)c1ccc(Cl)cc1 ZINC000048512719 570659237 /nfs/dbraw/zinc/65/92/37/570659237.db2.gz PDZUAXIOFSVICZ-LLVKDONJSA-N 0 0 391.258 3.557 40 0 GHABRN Cc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)Cc1ccccc1 ZINC000059502337 570659567 /nfs/dbraw/zinc/65/95/67/570659567.db2.gz VZRSXIBHAGHFDJ-UHFFFAOYSA-N 0 0 384.435 3.824 40 0 GHABRN COc1ccc(CCN(Cc2nc3ccccc3c(=O)[nH]2)C(=O)C(C)(C)C)cc1 ZINC000005624896 570665488 /nfs/dbraw/zinc/66/54/88/570665488.db2.gz LJVWDOODBNHDQZ-UHFFFAOYSA-N 0 0 393.487 3.549 40 0 GHABRN CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3cccc(F)c3)c2)CC1 ZINC000006680681 570674394 /nfs/dbraw/zinc/67/43/94/570674394.db2.gz XTYXCJLAFHLQFD-UHFFFAOYSA-N 0 0 382.482 3.560 40 0 GHABRN O=C(NC1CC1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000055632553 570698452 /nfs/dbraw/zinc/69/84/52/570698452.db2.gz KNELGKNGPPQILF-UHFFFAOYSA-N 0 0 385.272 3.686 40 0 GHABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O ZINC000409103127 570699508 /nfs/dbraw/zinc/69/95/08/570699508.db2.gz AWCGQOJCJXKPGK-WWNSAXIVSA-N 0 0 383.853 3.725 40 0 GHABRN CCCC[C@H](CC)CNC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000260850783 570711443 /nfs/dbraw/zinc/71/14/43/570711443.db2.gz QSZIGLAWUWHDNQ-ROUUACIJSA-N 0 0 382.570 3.791 40 0 GHABRN CC(=O)Nc1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1 ZINC000004349943 570727280 /nfs/dbraw/zinc/72/72/80/570727280.db2.gz NNGSIRYZTNCUJO-UHFFFAOYSA-N 0 0 381.201 3.564 40 0 GHABRN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1 ZINC000005184769 570731831 /nfs/dbraw/zinc/73/18/31/570731831.db2.gz TUQYVNVZUIZNQN-UHFFFAOYSA-N 0 0 382.441 3.748 40 0 GHABRN CC(=O)c1ccc(NC(=O)CSc2nnc(COc3cccc(C)c3)o2)cc1 ZINC000005294808 570733127 /nfs/dbraw/zinc/73/31/27/570733127.db2.gz REABQJZULIRKDY-UHFFFAOYSA-N 0 0 397.456 3.890 40 0 GHABRN Cc1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)ccc1Br ZINC000005678928 570734507 /nfs/dbraw/zinc/73/45/07/570734507.db2.gz 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387.443 3.631 40 0 GHABRN COc1cccc(-c2ccc3nc([C@@H]4CCCN(C(=O)C5CC5)C4)nn3c2)c1 ZINC000306135620 212050481 /nfs/dbraw/zinc/05/04/81/212050481.db2.gz OWCMYYIRTSDZQC-GOSISDBHSA-N 0 0 376.460 3.521 40 0 GHABRN O=S1(=O)c2ccc(-c3ccoc3)cc2[C@H]2CN(Cc3cccc(F)c3)C[C@@H]21 ZINC000306131735 212049607 /nfs/dbraw/zinc/04/96/07/212049607.db2.gz KOGWDSGFBLFTQO-CTNGQTDRSA-N 0 0 383.444 3.841 40 0 GHABRN CN1CCN(Cc2cccc(F)c2)C[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306131501 212049230 /nfs/dbraw/zinc/04/92/30/212049230.db2.gz KGTGBKQPTLAEPH-OAQYLSRUSA-N 0 0 393.510 3.562 40 0 GHABRN Cc1cccc(C(=O)N2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306127440 212046584 /nfs/dbraw/zinc/04/65/84/212046584.db2.gz FYQBNQAIWPQSQG-LJQANCHMSA-N 0 0 389.503 3.658 40 0 GHABRN O=S1(=O)c2ccc(-c3ccco3)cc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC000306124810 212045113 /nfs/dbraw/zinc/04/51/13/212045113.db2.gz CAAXBWUSVDOEJC-GHTZIAJQSA-N 0 0 383.444 3.841 40 0 GHABRN O=C(CCCCCOC(=O)c1ccccc1)OCC(=O)OCc1ccccc1 ZINC000263583500 212031566 /nfs/dbraw/zinc/03/15/66/212031566.db2.gz CEYQNNQMXLHZDS-UHFFFAOYSA-N 0 0 384.428 3.690 40 0 GHABRN COc1ccc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)cn1 ZINC000257337733 212028254 /nfs/dbraw/zinc/02/82/54/212028254.db2.gz YUDOEGGHJAUFFJ-GOSISDBHSA-N 0 0 381.407 3.785 40 0 GHABRN O=C(c1ccnnc1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257324864 212025702 /nfs/dbraw/zinc/02/57/02/212025702.db2.gz WQMZSKYUNWIYHA-MRXNPFEDSA-N 0 0 382.851 3.729 40 0 GHABRN Cc1nc(N)sc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257342615 212027421 /nfs/dbraw/zinc/02/74/21/212027421.db2.gz ZPLLQXVZXHACOI-OAHLLOKOSA-N 0 0 386.452 3.729 40 0 GHABRN CC(=O)N1CCC[C@@H]2N(C(=O)c3ccnc(-c4scnc4C)c3)CCC[C@@]21C ZINC000257345040 212027045 /nfs/dbraw/zinc/02/70/45/212027045.db2.gz ZZRYKRBFFXEMCH-RXVVDRJESA-N 0 0 398.532 3.519 40 0 GHABRN Cc1noc(C)c1-c1cc(CC2CCN(C(=O)c3ccc(F)cc3)CC2)ncn1 ZINC000257328213 212026927 /nfs/dbraw/zinc/02/69/27/212026927.db2.gz XERSJZUXUNSNKA-UHFFFAOYSA-N 0 0 394.450 3.982 40 0 GHABRN CCN1C(=O)CC[C@@H](C(=O)NCCc2cccc(C)c2)[C@@H]1c1ccc(OC)cc1 ZINC000257325218 212026009 /nfs/dbraw/zinc/02/60/09/212026009.db2.gz WRZHBEKZCJMEHP-GGAORHGYSA-N 0 0 394.515 3.662 40 0 GHABRN CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)Cc3cccs3)CCO2)n1 ZINC000257331192 212026136 /nfs/dbraw/zinc/02/61/36/212026136.db2.gz XRTPEYIKYRELPP-LJQANCHMSA-N 0 0 397.500 3.812 40 0 GHABRN COc1ccc(C2(C(=O)N3CCC[C@H]3CCc3ccncc3)CCOCC2)cc1 ZINC000257319557 212023994 /nfs/dbraw/zinc/02/39/94/212023994.db2.gz VTAMCGUJUPFQLR-NRFANRHFSA-N 0 0 394.515 3.762 40 0 GHABRN COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(F)ccc4F)OCC[C@@]31C2 ZINC000257314629 212023729 /nfs/dbraw/zinc/02/37/29/212023729.db2.gz UXTIFBQANFGUNZ-NTQHEYMJSA-N 0 0 393.474 4.000 40 0 GHABRN Cc1ncsc1C(=O)N1CC[C@@H](Cc2cccc(-c3c(C)noc3C)n2)C1 ZINC000257321725 212023246 /nfs/dbraw/zinc/02/32/46/212023246.db2.gz WCZBZJGZHLPYGQ-HNNXBMFYSA-N 0 0 382.489 3.823 40 0 GHABRN O=C(COc1cccnc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257303000 212019707 /nfs/dbraw/zinc/01/97/07/212019707.db2.gz SFJHAEJRJXVPRU-HXUWFJFHSA-N 0 0 395.434 3.932 40 0 GHABRN Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CN(Cc3ncc[nH]3)CCO2)n1 ZINC000257303671 212019809 /nfs/dbraw/zinc/01/98/09/212019809.db2.gz SIENMNKLLGTTCR-HXUWFJFHSA-N 0 0 382.895 3.931 40 0 GHABRN Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2ccccc2)n1 ZINC000257303038 212019627 /nfs/dbraw/zinc/01/96/27/212019627.db2.gz SFNKOTKVIDYBAF-RTWAWAEBSA-N 0 0 377.488 3.576 40 0 GHABRN CC(=O)N1CCC[C@@H]2N(C(=O)c3sc(-c4cccnc4)nc3C)CCC[C@@]21C ZINC000257287348 212018779 /nfs/dbraw/zinc/01/87/79/212018779.db2.gz PPNXLNVVNXYTRN-UWJYYQICSA-N 0 0 398.532 3.519 40 0 GHABRN O=C(Nc1cc(CCC2CCN(C(=O)C3CCC3)CC2)ccn1)c1ccccn1 ZINC000257291343 212018835 /nfs/dbraw/zinc/01/88/35/212018835.db2.gz QGOOTSRXRHYDCT-UHFFFAOYSA-N 0 0 392.503 3.700 40 0 GHABRN CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccccc4Cl)OCC[C@]3(C2)[C@H]1NC(=O)CCO ZINC000257291424 212018449 /nfs/dbraw/zinc/01/84/49/212018449.db2.gz QGWYMADHWFJURJ-HSZHVBGHSA-N 0 0 377.912 3.721 40 0 GHABRN C[C@@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC000257288757 212017852 /nfs/dbraw/zinc/01/78/52/212017852.db2.gz PVMHTDBLMIEMNO-JOCHJYFZSA-N 0 0 395.434 3.699 40 0 GHABRN CC(=O)N1[C@@H](CNC(=O)c2csc(C(C)C)c2)C[C@]2(C)[C@H]1CCCC[C@@H]2O ZINC000257282523 212016053 /nfs/dbraw/zinc/01/60/53/212016053.db2.gz OUBKGZIOOVSCPI-RDPOXOKHSA-N 0 0 392.565 3.532 40 0 GHABRN C[C@]12C[C@@H](c3ccc(F)cc3)N(C(=O)Cc3cccnc3)[C@H]1CCCCC(=O)N2 ZINC000257270323 212014937 /nfs/dbraw/zinc/01/49/37/212014937.db2.gz MTSSHILGLVHDAN-JTAQYXEDSA-N 0 0 395.478 3.554 40 0 GHABRN O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 ZINC000257267227 212014843 /nfs/dbraw/zinc/01/48/43/212014843.db2.gz MGLPCDXPZPOXPE-MRXNPFEDSA-N 0 0 381.407 3.525 40 0 GHABRN COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4cccnc4)C3)o2)cc1 ZINC000257264282 212012204 /nfs/dbraw/zinc/01/22/04/212012204.db2.gz LTSCONGQMHABFN-SFHVURJKSA-N 0 0 377.444 3.689 40 0 GHABRN CC(=O)N1CCC[C@H]2N(C(=O)c3cccnc3-c3scnc3C)CCC[C@@]21C ZINC000257252197 212011413 /nfs/dbraw/zinc/01/14/13/212011413.db2.gz JTWWGQYDZYSYBQ-UTKZUKDTSA-N 0 0 398.532 3.519 40 0 GHABRN Cc1cccc(-c2ccc(CC3(C(N)=O)CCN(C(=O)C4CC4)CC3)cc2)c1 ZINC000257247875 212011420 /nfs/dbraw/zinc/01/14/20/212011420.db2.gz JAYLMLZGROMTRG-UHFFFAOYSA-N 0 0 376.500 3.709 40 0 GHABRN COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3ocnc3C)o2)c1 ZINC000257248910 212011080 /nfs/dbraw/zinc/01/10/80/212011080.db2.gz JFTVLHHBKWOWIU-SFHVURJKSA-N 0 0 381.432 3.938 40 0 GHABRN CCN1C(=O)CC[C@@H](C(=O)N(Cc2ccccn2)C2CC2)[C@@H]1c1ccc(C)cc1 ZINC000257249445 212010984 /nfs/dbraw/zinc/01/09/84/212010984.db2.gz JIJZMOUYTKHZAF-GGAORHGYSA-N 0 0 391.515 3.881 40 0 GHABRN CNc1nc(NCc2ccccc2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329054706 209160268 /nfs/dbraw/zinc/16/02/68/209160268.db2.gz VKROYSFBNYHPJM-UHFFFAOYSA-N 0 0 388.393 3.848 40 0 GHABRN O=C(c1ncccc1O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257252928 212010087 /nfs/dbraw/zinc/01/00/87/212010087.db2.gz JWSUBZWJVPPLNC-HNNXBMFYSA-N 0 0 381.407 3.525 40 0 GHABRN Cc1cc(Cl)cc(C)c1Nc1cc(-c2ccccc2)nc(N[C@H](C)CO)n1 ZINC000329064705 209159970 /nfs/dbraw/zinc/15/99/70/209159970.db2.gz XMGKNJIJYZMVTI-OAHLLOKOSA-N 0 0 382.895 3.794 40 0 GHABRN NC(=O)C[C@@]1(COc2ccccc2)CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000257234482 212009610 /nfs/dbraw/zinc/00/96/10/212009610.db2.gz GTRKGTGUQJCTBJ-NRFANRHFSA-N 0 0 386.879 3.517 40 0 GHABRN Cn1cc(-c2cccc([C@H]3CN(Cc4cccc5ncccc45)CCO3)n2)cn1 ZINC000257235616 212008752 /nfs/dbraw/zinc/00/87/52/212008752.db2.gz GYQDVPYBPHJAPT-HSZRJFAPSA-N 0 0 385.471 3.604 40 0 GHABRN Cc1cc(Nc2cc(-c3ccncc3)nc(N[C@H](C)CO)n2)ccc1C(C)C ZINC000329066317 209159127 /nfs/dbraw/zinc/15/91/27/209159127.db2.gz XZTHCSRSZPGUIU-MRXNPFEDSA-N 0 0 377.492 3.929 40 0 GHABRN O=C(c1cncnc1)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 ZINC000257240910 212008187 /nfs/dbraw/zinc/00/81/87/212008187.db2.gz HVSCZFNLLOVZKZ-HNNXBMFYSA-N 0 0 382.851 3.729 40 0 GHABRN O=C(c1ccncc1)N1CCO[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257211749 212003622 /nfs/dbraw/zinc/00/36/22/212003622.db2.gz CAGLKDOGKXNHEM-SFHVURJKSA-N 0 0 383.835 3.528 40 0 GHABRN FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(C3CC3)nc(NC3CC3)n1)C2 ZINC000329015965 209156891 /nfs/dbraw/zinc/15/68/91/209156891.db2.gz NENGKHGTXJCJNR-UHFFFAOYSA-N 0 0 390.409 3.812 40 0 GHABRN Cc1ccc(Cl)c(C)c1Nc1cc(-c2ccccc2)nc(N[C@@H](C)CO)n1 ZINC000328993802 209156584 /nfs/dbraw/zinc/15/65/84/209156584.db2.gz JCIBJMSGDLLQDN-AWEZNQCLSA-N 0 0 382.895 3.794 40 0 GHABRN CC(C)[C@@H](CO)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(C2CC2)n1 ZINC000328992581 209156663 /nfs/dbraw/zinc/15/66/63/209156663.db2.gz IXDKGNTYPVGMIH-OAHLLOKOSA-N 0 0 396.413 3.847 40 0 GHABRN CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1cccc(Br)c12 ZINC000096029452 211962239 /nfs/dbraw/zinc/96/22/39/211962239.db2.gz XFZQTRARZWCPLT-UHFFFAOYSA-N 0 0 381.270 3.670 40 0 GHABRN C[C@@H]1CCCCN1c1cc(N2CCCCC2)nc(NC(=S)NC(C)(C)C)n1 ZINC000225894347 211934838 /nfs/dbraw/zinc/93/48/38/211934838.db2.gz DPSRZODQDDCBCW-OAHLLOKOSA-N 0 0 390.601 3.931 40 0 GHABRN CNc1nc(Nc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328983567 209155191 /nfs/dbraw/zinc/15/51/91/209155191.db2.gz HHCIFKAQJGDDSB-UHFFFAOYSA-N 0 0 396.319 3.950 40 0 GHABRN O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)CC(=O)c1cccc(Cl)c1O2 ZINC000225828108 211929698 /nfs/dbraw/zinc/92/96/98/211929698.db2.gz JWEMBWGCMJHGSS-UHFFFAOYSA-N 0 0 399.830 3.709 40 0 GHABRN Cc1cc(C)cc(N(CCCC(=O)Nc2c(F)cccc2F)S(C)(=O)=O)c1 ZINC000225736848 211923073 /nfs/dbraw/zinc/92/30/73/211923073.db2.gz MCQPWYNERKGTER-UHFFFAOYSA-N 0 0 396.459 3.767 40 0 GHABRN COc1ccc(NC(=S)NCc2ccc(-n3ccnc3C)cc2)c(OC)c1 ZINC000225456584 211899769 /nfs/dbraw/zinc/89/97/69/211899769.db2.gz LXMZHVJUXMEMBU-UHFFFAOYSA-N 0 0 382.489 3.685 40 0 GHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 ZINC000225373445 211892349 /nfs/dbraw/zinc/89/23/49/211892349.db2.gz RZBGRAVYRJEFKT-RTBURBONSA-N 0 0 396.531 3.878 40 0 GHABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1C ZINC000225380171 211893351 /nfs/dbraw/zinc/89/33/51/211893351.db2.gz ACRHLIAGQVBABE-RTBURBONSA-N 0 0 396.531 3.878 40 0 GHABRN CCc1ccc([C@@H](C)NC(=O)c2ccc(N(CC)S(=O)(=O)CC)cc2)cc1 ZINC000225501589 211900875 /nfs/dbraw/zinc/90/08/75/211900875.db2.gz UFZJPUQCHHNAJU-MRXNPFEDSA-N 0 0 388.533 3.916 40 0 GHABRN CCOC(=O)c1cnc(NC(=S)N[C@@H](C)c2ccc(Cl)cc2)nc1C ZINC000225198627 211887986 /nfs/dbraw/zinc/88/79/86/211887986.db2.gz LIZADOKXZCLUJI-JTQLQIEISA-N 0 0 378.885 3.663 40 0 GHABRN CCn1ccc(C(=O)Nc2c(Br)cc(F)cc2Br)n1 ZINC000028236920 211885787 /nfs/dbraw/zinc/88/57/87/211885787.db2.gz PZPUSIUAQWUKKF-UHFFFAOYSA-N 0 0 391.038 3.819 40 0 GHABRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1 ZINC000224630574 211867157 /nfs/dbraw/zinc/86/71/57/211867157.db2.gz WFJDKGRYTFIRJA-JOCHJYFZSA-N 0 0 396.531 3.953 40 0 GHABRN CCCC[C@H](CC)CNC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O ZINC000224739034 211871256 /nfs/dbraw/zinc/87/12/56/211871256.db2.gz HUAXACQZUVSUBF-KRWDZBQOSA-N 0 0 398.569 3.574 40 0 GHABRN 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QHCPLTIIHVVKQQ-RTWAWAEBSA-N 0 0 392.528 3.702 40 0 GHABRN CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(OC)cc1 ZINC000223084336 211821870 /nfs/dbraw/zinc/82/18/70/211821870.db2.gz DSCGPAKGOSFOBC-IBGZPJMESA-N 0 0 396.531 3.880 40 0 GHABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cc1 ZINC000223019305 211820252 /nfs/dbraw/zinc/82/02/52/211820252.db2.gz KKADJLYADWAEPI-NHCUHLMSSA-N 0 0 392.528 3.800 40 0 GHABRN COc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(C)c1C ZINC000223034588 211820009 /nfs/dbraw/zinc/82/00/09/211820009.db2.gz FDNBXIPQEUMNLT-MRXNPFEDSA-N 0 0 375.490 3.893 40 0 GHABRN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000222936373 211816159 /nfs/dbraw/zinc/81/61/59/211816159.db2.gz QPVVEMCKYUFKPQ-UHFFFAOYSA-N 0 0 394.496 3.674 40 0 GHABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 ZINC000222907147 211815006 /nfs/dbraw/zinc/81/50/06/211815006.db2.gz JDVIAYCUMOKDSR-SFHVURJKSA-N 0 0 396.531 3.569 40 0 GHABRN 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Cc1ccc([C@@H](C)NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000020050493 210314614 /nfs/dbraw/zinc/31/46/14/210314614.db2.gz WOZXAVFUQDSKIK-MRXNPFEDSA-N 0 0 392.496 3.558 40 0 GHABRN COc1ccc(C)cc1S(=O)(=O)N[C@H](C)c1cccc(Br)c1 ZINC000020029835 210312763 /nfs/dbraw/zinc/31/27/63/210312763.db2.gz UHHVKRFKXRFEOO-GFCCVEGCSA-N 0 0 384.295 3.806 40 0 GHABRN CCCCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccccc1OC)C3 ZINC000019816466 210299407 /nfs/dbraw/zinc/29/94/07/210299407.db2.gz PCQRAJVLRSOLDX-CYBMUJFWSA-N 0 0 382.489 3.938 40 0 GHABRN CCc1ccccc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1C)S(C)(=O)=O ZINC000019934648 210308674 /nfs/dbraw/zinc/30/86/74/210308674.db2.gz HYURLNKVCKZIKU-KRWDZBQOSA-N 0 0 388.533 3.509 40 0 GHABRN CC(C)c1ccc(CCNC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cc1 ZINC000019934475 210308578 /nfs/dbraw/zinc/30/85/78/210308578.db2.gz KKORUAMTUWOCKC-UHFFFAOYSA-N 0 0 394.924 3.807 40 0 GHABRN O=C(NCc1nnc(-c2ccccc2)o1)c1cc(-n2cccn2)ccc1Cl ZINC000019715188 210286497 /nfs/dbraw/zinc/28/64/97/210286497.db2.gz NZEQRBYHYHZYIX-UHFFFAOYSA-N 0 0 379.807 3.506 40 0 GHABRN Cc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3N3CCOCC3)no2)cc1 ZINC000019715048 210286141 /nfs/dbraw/zinc/28/61/41/210286141.db2.gz UFICXRMODJEIRV-UHFFFAOYSA-N 0 0 391.471 3.759 40 0 GHABRN CC(C)(C(=O)Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1)c1ccc(F)cc1 ZINC000019746215 210292117 /nfs/dbraw/zinc/29/21/17/210292117.db2.gz HBLDGQPPHZTTHU-UHFFFAOYSA-N 0 0 398.413 3.716 40 0 GHABRN CCn1ncc(-c2cc(C(=O)Nc3cc(-c4csnn4)ccc3C)on2)c1C ZINC000019719084 210289553 /nfs/dbraw/zinc/28/95/53/210289553.db2.gz SNVISENYIUVRMT-UHFFFAOYSA-N 0 0 394.460 3.946 40 0 GHABRN COc1ccc(C(=O)Nc2ccc3ncn(C)c3c2)cc1OCc1ccccn1 ZINC000019714322 210286714 /nfs/dbraw/zinc/28/67/14/210286714.db2.gz ZCNOUDBBBNEESN-UHFFFAOYSA-N 0 0 388.427 3.808 40 0 GHABRN COc1cc(OC)c(C(=O)N2CC[C@H](c3cc4ccccc4cn3)C2)cc1OC ZINC000019594944 210274916 /nfs/dbraw/zinc/27/49/16/210274916.db2.gz SVQJMIBWRMZDLB-KRWDZBQOSA-N 0 0 392.455 3.890 40 0 GHABRN O=C(c1cc(-c2cccc(F)c2)no1)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000019666753 210282583 /nfs/dbraw/zinc/28/25/83/210282583.db2.gz WBZDWBIRMLIBTN-SFHVURJKSA-N 0 0 381.407 3.697 40 0 GHABRN CC(C)(C)[C@@H]1CCc2onc(C(=O)NCc3nc(Cc4ccccc4)no3)c2C1 ZINC000019664285 210279374 /nfs/dbraw/zinc/27/93/74/210279374.db2.gz CNXDRXFPLXZKSR-OAHLLOKOSA-N 0 0 394.475 3.729 40 0 GHABRN CO[C@H]1CCC[C@H](C(=O)Nc2ccc(-c3cn4nc(C)c(C)nc4n3)cc2C)C1 ZINC000019657260 210278307 /nfs/dbraw/zinc/27/83/07/210278307.db2.gz ZCSGCBUVRMKWFA-ROUUACIJSA-N 0 0 393.491 3.860 40 0 GHABRN Cc1cc2ncn(CCC(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)c2cc1C ZINC000019655328 210277676 /nfs/dbraw/zinc/27/76/76/210277676.db2.gz OGMVWVUMCXECIQ-INIZCTEOSA-N 0 0 379.460 3.692 40 0 GHABRN Cc1cc2cccnc2c(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000019655089 210276871 /nfs/dbraw/zinc/27/68/71/210276871.db2.gz GEKQBXSJTXERSL-UHFFFAOYSA-N 0 0 388.876 3.999 40 0 GHABRN COCC(=O)N1CCc2sccc2[C@H]1c1ccc(NC(=O)C2CCCC2)cc1 ZINC000019592921 210275247 /nfs/dbraw/zinc/27/52/47/210275247.db2.gz WSIAXHDAIIGRCM-OAQYLSRUSA-N 0 0 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VZDVVADPOSWTAR-UHFFFAOYSA-N 0 0 378.476 3.602 40 0 GHABRN Cc1sc2[nH]c(SCC(=O)N3CCCc4ccccc43)nc(=O)c2c1C ZINC000001368218 136193180 /nfs/dbraw/zinc/19/31/80/136193180.db2.gz XIDQTKQWPVPVDV-UHFFFAOYSA-N 0 0 385.514 3.673 40 0 GHABRN Cc1nc(-c2ccc(F)cc2)ncc1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000222584441 136204812 /nfs/dbraw/zinc/20/48/12/136204812.db2.gz KUBZDNRFFQTMHH-UHFFFAOYSA-N 0 0 394.425 3.693 40 0 GHABRN Cc1ccc(C)c(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c1 ZINC000224258841 136206550 /nfs/dbraw/zinc/20/65/50/136206550.db2.gz KLPYKRHMBZSOTH-UHFFFAOYSA-N 0 0 387.487 3.672 40 0 GHABRN Cc1cccc(CN(C)C(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)c1 ZINC000224515633 136207116 /nfs/dbraw/zinc/20/71/16/136207116.db2.gz FAYLZPYEQHUJNV-UHFFFAOYSA-N 0 0 386.517 3.506 40 0 GHABRN COc1ccc(OC)c(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c1 ZINC000106759576 534223711 /nfs/dbraw/zinc/22/37/11/534223711.db2.gz BZLVDFUDUFKNAP-AQTBWJFISA-N 0 0 385.441 3.819 40 0 GHABRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O ZINC000409094418 534226901 /nfs/dbraw/zinc/22/69/01/534226901.db2.gz DARFBRNIDYZJOP-HGLKBHAMSA-N 0 0 390.848 3.729 40 0 GHABRN Cc1cnc(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3C)CC2)cn1 ZINC000100744847 525973329 /nfs/dbraw/zinc/97/33/29/525973329.db2.gz NDMKDMJABYUTQA-CALCHBBNSA-N 0 0 390.491 3.582 40 0 GHABRN CC(C)C(NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)C(C)C ZINC000409329606 527590402 /nfs/dbraw/zinc/59/04/02/527590402.db2.gz GDXFTMRNACFMDF-UHFFFAOYSA-N 0 0 388.533 3.922 40 0 GHABRN CCNc1nc(Nc2ccc(C)cc2Br)cc(-c2ccncc2)n1 ZINC000328965570 527996057 /nfs/dbraw/zinc/99/60/57/527996057.db2.gz CEHJRQICGDWJST-UHFFFAOYSA-N 0 0 384.281 3.629 40 0 GHABRN CCCCC(=O)Nc1ccc(NC(=O)COc2ccc(OC)cc2)cc1OC ZINC000408622694 528092110 /nfs/dbraw/zinc/09/21/10/528092110.db2.gz QRERADVJGFVLMY-UHFFFAOYSA-N 0 0 386.448 3.850 40 0 GHABRN CC(C)COc1ccccc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O ZINC000408600051 528179777 /nfs/dbraw/zinc/17/97/77/528179777.db2.gz SFOSRYOTCZWGED-CXUHLZMHSA-N 0 0 377.462 3.709 40 0 GHABRN CCOc1cc([C@H]2[NH2+]C[C@@H](C(=O)[O-])S2)ccc1OCc1cccc(F)c1 ZINC000408975914 528335182 /nfs/dbraw/zinc/33/51/82/528335182.db2.gz CRRQZTGNGDNEME-ROUUACIJSA-N 0 0 377.437 3.592 40 0 GHABRN CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)ccc1C ZINC000408610040 528443960 /nfs/dbraw/zinc/44/39/60/528443960.db2.gz UOLADLJYKPJOGR-UHFFFAOYSA-N 0 0 380.897 3.897 40 0 GHABRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccsc3)C2=O)cc1 ZINC000409089531 528507669 /nfs/dbraw/zinc/50/76/69/528507669.db2.gz MVBIZAXCRCEULS-OQLLNIDSSA-N 0 0 388.470 3.822 40 0 GHABRN CCCNS(=O)(=O)c1ccc(OCC)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000408553955 528533123 /nfs/dbraw/zinc/53/31/23/528533123.db2.gz AHQWJZHVXFNFFI-UHFFFAOYSA-N 0 0 396.896 3.679 40 0 GHABRN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc3c(c2)OCCO3)c1 ZINC000408624020 528690183 /nfs/dbraw/zinc/69/01/83/528690183.db2.gz AMXKVRCSSCYGTP-UHFFFAOYSA-N 0 0 386.473 3.764 40 0 GHABRN CCOc1ccccc1-c1nc(SCc2nc3ccccc3c(=O)[nH]2)n[nH]1 ZINC000408583368 528700271 /nfs/dbraw/zinc/70/02/71/528700271.db2.gz UBRSNQUUTBDMSY-UHFFFAOYSA-N 0 0 379.445 3.812 40 0 GHABRN CCOc1cccc2sc(NC(=O)c3nn(CC)c(=O)c4ccccc43)nc21 ZINC000019716929 528700471 /nfs/dbraw/zinc/70/04/71/528700471.db2.gz XWODNGIHHGRQSG-UHFFFAOYSA-N 0 0 394.456 3.677 40 0 GHABRN CCN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O ZINC000409074796 528953737 /nfs/dbraw/zinc/95/37/37/528953737.db2.gz RRLOSZNSDKWSOY-SFQUDFHCSA-N 0 0 382.441 3.760 40 0 GHABRN CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)C1=O ZINC000409067065 528953828 /nfs/dbraw/zinc/95/38/28/528953828.db2.gz OYDFVFMULVOXSO-IZZDOVSWSA-N 0 0 390.244 3.601 40 0 GHABRN COCCOc1ncccc1-c1noc([C@@H]2CCCN2Cc2cccs2)n1 ZINC000035425018 560080949 /nfs/dbraw/zinc/08/09/49/560080949.db2.gz DSUFIGTXPWDJLL-INIZCTEOSA-N 0 0 386.477 3.555 40 0 biogenic,in-vitro GHABRN CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3ccc(Cl)cc3)c12 ZINC000004237395 560197730 /nfs/dbraw/zinc/19/77/30/560197730.db2.gz YFAQHPYQSNUKIB-GOEBONIOSA-N 0 0 385.895 3.706 40 0 biogenic,in-vitro GHABRN Cc1ccc(C)c(Nc2cc(-c3cccnc3)nc(N[C@H](CO)C(C)C)n2)c1 ZINC000329017967 570212441 /nfs/dbraw/zinc/21/24/41/570212441.db2.gz NOHKLVVGRFWHQX-HXUWFJFHSA-N 0 0 377.492 3.750 40 0 GHABRN COc1cccc(Nc2cc(-c3ccccc3)nc(N[C@H](CO)C(C)C)n2)c1 ZINC000329038680 570214136 /nfs/dbraw/zinc/21/41/36/570214136.db2.gz RUKQQDGPXJOFFR-HXUWFJFHSA-N 0 0 378.476 3.747 40 0 GHABRN Cc1cc(Nc2ccccn2)nc([C@H]2CCCCN2C(=O)C=Cc2ccco2)n1 ZINC000585292832 570261956 /nfs/dbraw/zinc/26/19/56/570261956.db2.gz SQEFUWNRHNMPBC-DOJUMQAQSA-N 0 0 389.459 3.706 40 0 GHABRN CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)ncc2Cl)[nH]n1 ZINC000100085343 570266041 /nfs/dbraw/zinc/26/60/41/570266041.db2.gz VVTHHGWHASRMQM-JTQLQIEISA-N 0 0 391.838 3.790 40 0 in-vivo GHABRN O=C(CSc1nnc(Cc2c[nH]c3ccccc23)o1)N1CCc2ccccc21 ZINC000021682023 570294585 /nfs/dbraw/zinc/29/45/85/570294585.db2.gz PRIYVQSXMOROIB-UHFFFAOYSA-N 0 0 390.468 3.823 40 0 GHABRN O=C(Nc1ccc(Cl)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000216251467 570297672 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/nfs/dbraw/zinc/23/34/12/210233412.db2.gz SWDUVWAFRKWCIN-UHFFFAOYSA-N 0 0 382.489 3.759 40 0 GHABRN CC(=O)N1CCc2nc([C@@H]3CCCCN3Cc3ccc(C)c(C)c3)ncc2C1 ZINC000019213990 210231915 /nfs/dbraw/zinc/23/19/15/210231915.db2.gz CYNBMLAWYFCXJO-QFIPXVFZSA-N 0 0 378.520 3.725 40 0 GHABRN CNC(=O)[C@]1(Cc2ccccc2-c2ccc(C)cc2)CCCN(C(=O)C2CC2)C1 ZINC000019212785 210230904 /nfs/dbraw/zinc/23/09/04/210230904.db2.gz GCEOCKMGVOAYGG-VWLOTQADSA-N 0 0 390.527 3.969 40 0 GHABRN Cc1ccc([C@@H]2CCCN2C(=O)C[C@H]2NC(=O)N(C3CCCCC3)C2=O)cc1C ZINC000019213711 210230480 /nfs/dbraw/zinc/23/04/80/210230480.db2.gz WBKVUWSUUFEYFX-UXHICEINSA-N 0 0 397.519 3.610 40 0 GHABRN Cc1ccc2oc(C(=O)Nc3ccnn3Cc3ccc4c(c3)OCO4)cc2c1 ZINC000019221403 210230274 /nfs/dbraw/zinc/23/02/74/210230274.db2.gz MWCXUFUIJAFWCI-UHFFFAOYSA-N 0 0 375.384 3.967 40 0 GHABRN Cc1onc(-c2ccncc2)c1C(=O)N1CCN([C@H](C)c2ccc(C)cc2)CC1 ZINC000019136405 210229327 /nfs/dbraw/zinc/22/93/27/210229327.db2.gz INGGISXUFDWDDF-QGZVFWFLSA-N 0 0 390.487 3.872 40 0 GHABRN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc2ccccc2n1 ZINC000019204075 210228420 /nfs/dbraw/zinc/22/84/20/210228420.db2.gz PUIJRGKONQOIRD-UHFFFAOYSA-N 0 0 380.444 3.596 40 0 GHABRN CCc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3OC)o2)cc1 ZINC000409350862 529695312 /nfs/dbraw/zinc/69/53/12/529695312.db2.gz ZIMZEKUKJIALHV-UHFFFAOYSA-N 0 0 399.472 3.950 40 0 GHABRN COc1ccc(CCNC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000017155170 210206514 /nfs/dbraw/zinc/20/65/14/210206514.db2.gz DWQHSNSWEZQGAI-UHFFFAOYSA-N 0 0 385.851 3.690 40 0 GHABRN CCC(=O)n1c(CC)nc2c1SC(c1cccc(OC)c1)=NN2C(=O)CC ZINC000016777721 210197458 /nfs/dbraw/zinc/19/74/58/210197458.db2.gz SAXWSNIURGPGRC-UHFFFAOYSA-N 0 0 386.477 3.715 40 0 GHABRN CCOc1ccc(CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1OCC ZINC000014233881 210111497 /nfs/dbraw/zinc/11/14/97/210111497.db2.gz OWWDPNQFBGERGB-UHFFFAOYSA-N 0 0 377.506 3.888 40 0 GHABRN COc1ccc(CN(Cc2cccc(C)n2)C[C@@H]2CCCO2)c(OC)c1OC ZINC000013993499 210099896 /nfs/dbraw/zinc/09/98/96/210099896.db2.gz 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CCOc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2cccnc2)cc1 ZINC000000905180 209278126 /nfs/dbraw/zinc/27/81/26/209278126.db2.gz JCMYVBNUOYPJME-UHFFFAOYSA-N 0 0 398.488 3.772 40 0 GHABRN CC(=O)N[C@H]1c2ccccc2N(CCCOc2ccc(Cl)cc2Cl)C1=O ZINC000100485420 209192315 /nfs/dbraw/zinc/19/23/15/209192315.db2.gz LAFOOURCLAWFIG-SFHVURJKSA-N 0 0 393.270 3.986 40 0 GHABRN CCOc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Br)cc1 ZINC000035684119 209182006 /nfs/dbraw/zinc/18/20/06/209182006.db2.gz ZMFKOOINGGUWDT-UHFFFAOYSA-N 0 0 387.237 3.681 40 0 GHABRN Cc1cc(Br)cc(C)c1OCC(=O)Nc1nnc(C2CC2)s1 ZINC000028284407 209181146 /nfs/dbraw/zinc/18/11/46/209181146.db2.gz KVDRIGIQDDMYRH-UHFFFAOYSA-N 0 0 382.283 3.812 40 0 GHABRN COc1ccc(OCCNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000061997035 212065269 /nfs/dbraw/zinc/06/52/69/212065269.db2.gz NBWDOUOXINLXBM-OAHLLOKOSA-N 0 0 377.868 3.928 40 0 GHABRN CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)cc1 ZINC000005833446 212067534 /nfs/dbraw/zinc/06/75/34/212067534.db2.gz 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Cc1cccc(CN2CCN(C)[C@@H](c3ncn4cc(-c5cccnc5)ccc34)C2)n1 ZINC000306126682 212044682 /nfs/dbraw/zinc/04/46/82/212044682.db2.gz FCBMGVYPTJGNSM-HSZRJFAPSA-N 0 0 398.514 3.588 40 0 GHABRN Cc1noc(C)c1-c1cncc(CC[C@H]2CCCN2C(=O)c2ccc(C)nc2)n1 ZINC000257316705 212024471 /nfs/dbraw/zinc/02/44/71/212024471.db2.gz VGQMJDDRHLIVEW-LJQANCHMSA-N 0 0 391.475 3.689 40 0 GHABRN CCn1ccnc1CN1CC2(C1)CO[C@@H]1c3cccc(OC)c3OC(C)(C)[C@H]1C2 ZINC000257317962 212024605 /nfs/dbraw/zinc/02/46/05/212024605.db2.gz VLXLTSXUBPDSGL-FXAWDEMLSA-N 0 0 397.519 3.662 40 0 GHABRN CC(=O)N1CCCCC[C@@H]2N(C(=O)c3ccn(C)n3)[C@H](c3ccccc3)C[C@@]21C ZINC000257328043 212026761 /nfs/dbraw/zinc/02/67/61/212026761.db2.gz XDVYDACTRGNHPL-FUDKSRODSA-N 0 0 394.519 3.557 40 0 GHABRN CCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2COC)[C@@H]1c1ccc(C)cc1 ZINC000257330893 212026893 /nfs/dbraw/zinc/02/68/93/212026893.db2.gz XQLQNDLUOJHJQG-GGAORHGYSA-N 0 0 394.515 3.757 40 0 GHABRN COc1cccc(Oc2cc(C)nc([C@H]3CCCN(C(=O)c4ccno4)C3)n2)c1 ZINC000257303634 212019564 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ZINC000067800560 211021849 /nfs/dbraw/zinc/02/18/49/211021849.db2.gz HTPGOLAOJSYUKE-UHFFFAOYSA-N 0 0 398.301 3.970 40 0 GHABRN Cc1ccc(OC[C@@H](C)NC(=O)COc2ccc(Br)cc2)cc1 ZINC000060138722 210926665 /nfs/dbraw/zinc/92/66/65/210926665.db2.gz HODDGLPBDXVSNY-CQSZACIVSA-N 0 0 378.266 3.720 40 0 GHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000044850141 210813019 /nfs/dbraw/zinc/81/30/19/210813019.db2.gz ZXDKWWWUHPFVKQ-LJQANCHMSA-N 0 0 387.476 3.965 40 0 GHABRN O=C(C(Cl)=C(Cl)Cl)N1CCN(c2ncccc2C(F)(F)F)CC1 ZINC000033376786 210644374 /nfs/dbraw/zinc/64/43/74/210644374.db2.gz FYFDFCFKRSVBFW-UHFFFAOYSA-N 0 0 388.604 3.635 40 0 GHABRN Cc1ccc(C)c(N2C(SCc3ccccc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000032640583 210579933 /nfs/dbraw/zinc/57/99/33/210579933.db2.gz HDBDLERKGLNQEI-IEBWSBKVSA-N 0 0 386.542 3.578 40 0 GHABRN COc1ccc(N2CCCN=C2NC(=O)c2cccc(Cl)c2)cc1Cl ZINC000028535792 210528557 /nfs/dbraw/zinc/52/85/57/210528557.db2.gz DNTXYQOIDGBPDI-UHFFFAOYSA-N 0 0 378.259 3.998 40 0 GHABRN Cc1noc(C)c1CCC(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 ZINC000024933257 210472728 /nfs/dbraw/zinc/47/27/28/210472728.db2.gz KGJJJMOFHRPWGR-FQEVSTJZSA-N 0 0 378.476 3.663 40 0 GHABRN CCc1ccc(N(CC(=O)N[C@@H](C)c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000022361633 210412503 /nfs/dbraw/zinc/41/25/03/210412503.db2.gz QWOXVKNPATVXSE-KRWDZBQOSA-N 0 0 388.533 3.509 40 0 GHABRN CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccco1 ZINC000020802647 210363333 /nfs/dbraw/zinc/36/33/33/210363333.db2.gz HITBYCKAHSNTPF-MOPGFXCFSA-N 0 0 395.459 3.791 40 0 GHABRN COCCCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C ZINC000020495021 210341527 /nfs/dbraw/zinc/34/15/27/210341527.db2.gz RSHWVUWMWCTDOH-GOSISDBHSA-N 0 0 398.503 3.784 40 0 GHABRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)c1 ZINC000020491283 210341244 /nfs/dbraw/zinc/34/12/44/210341244.db2.gz PYHXNBRBUKPOJH-HNNXBMFYSA-N 0 0 399.443 3.591 40 0 GHABRN Cc1c(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)c(=O)n(-c2ccccc2)n1C ZINC000020457858 210338606 /nfs/dbraw/zinc/33/86/06/210338606.db2.gz NSLLTGIXDUTDDE-GOSISDBHSA-N 0 0 393.487 3.816 40 0 GHABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 ZINC000020456247 210338252 /nfs/dbraw/zinc/33/82/52/210338252.db2.gz GNHAUPKDBIHUSN-QGZVFWFLSA-N 0 0 386.517 3.579 40 0 GHABRN CC(C)(C)c1cc(CC2(NCc3ccc(OC(F)(F)F)cc3)COC2)no1 ZINC000067897826 210326183 /nfs/dbraw/zinc/32/61/83/210326183.db2.gz ZXENGTZFDDETBV-UHFFFAOYSA-N 0 0 384.398 3.972 40 0 biogenic,in-vitro GHABRN COc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1-c1ccc(CO)o1 ZINC000020151585 210319947 /nfs/dbraw/zinc/31/99/47/210319947.db2.gz UVTSFHQSUNNILV-UHFFFAOYSA-N 0 0 396.468 3.883 40 0 GHABRN CCOC(=O)c1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1Cl ZINC000020038709 210313195 /nfs/dbraw/zinc/31/31/95/210313195.db2.gz UDTDFEBSSYSLRB-UHFFFAOYSA-N 0 0 393.823 3.795 40 0 GHABRN [NH2+]=C(Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[n-]1)N1CCCCC1 ZINC000019819781 210300726 /nfs/dbraw/zinc/30/07/26/210300726.db2.gz QIQLANZWPARGPL-UHFFFAOYSA-N 0 0 377.901 3.548 40 0 GHABRN O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccc(F)cc1F ZINC000019937628 210308678 /nfs/dbraw/zinc/30/86/78/210308678.db2.gz YVIRTXVXZOXLCN-UHFFFAOYSA-N 0 0 375.762 3.550 40 0 GHABRN Cc1nn(-c2ccccc2)c2nc([C@@H]3CCCN3C(=O)c3cnc(C)cn3)ccc12 ZINC000019742354 210291006 /nfs/dbraw/zinc/29/10/06/210291006.db2.gz DMXPGIHNQXCNGI-NRFANRHFSA-N 0 0 398.470 3.805 40 0 GHABRN Cc1ccc2c(cc(C(=O)N3CCC[C@](C)(C(=O)NC4CCCC4)C3)n2C)c1 ZINC000019746593 210290829 /nfs/dbraw/zinc/29/08/29/210290829.db2.gz QZXKUQFXGVYTAE-QHCPKHFHSA-N 0 0 381.520 3.788 40 0 GHABRN CCc1nc2ccccc2n1[C@H](C)C(=O)N1CCC(Cn2ccnc2C)CC1 ZINC000019718450 210289779 /nfs/dbraw/zinc/28/97/79/210289779.db2.gz RZDWVXOGOHZJHF-MRXNPFEDSA-N 0 0 379.508 3.603 40 0 GHABRN Cc1nccn1Cc1cccc(NC(=O)[C@H](c2ccccc2)n2ccnc2C)c1 ZINC000019718853 210289823 /nfs/dbraw/zinc/28/98/23/210289823.db2.gz WXDHBVGQUCTDKZ-QFIPXVFZSA-N 0 0 385.471 3.973 40 0 GHABRN Cc1cccn2cc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)nc12 ZINC000019718786 210289212 /nfs/dbraw/zinc/28/92/12/210289212.db2.gz RCANXJIZHYGPCK-SFHVURJKSA-N 0 0 377.444 3.781 40 0 GHABRN Cc1cc(N2CCC([C@H]3CC=CCN(C)C3=O)CC2)nc(-c2ccccc2)n1 ZINC000019698497 210281869 /nfs/dbraw/zinc/28/18/69/210281869.db2.gz SUGYCYZORVUFKS-HXUWFJFHSA-N 0 0 376.504 3.703 40 0 GHABRN CCC(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)CC1 ZINC000019700184 210281360 /nfs/dbraw/zinc/28/13/60/210281360.db2.gz XYVXSNXLWWBIGB-UHFFFAOYSA-N 0 0 393.531 3.835 40 0 GHABRN CCc1nc2ccccc2n1CC(=O)Nc1cnn(Cc2cccc(F)c2)c1 ZINC000019662470 210280279 /nfs/dbraw/zinc/28/02/79/210280279.db2.gz GIUSNDDJNDCAAR-UHFFFAOYSA-N 0 0 377.423 3.621 40 0 GHABRN C[C@H](NC(=O)c1cc(COc2ccc(F)cc2)on1)c1ccc2c(c1)OCCO2 ZINC000019663177 210279955 /nfs/dbraw/zinc/27/99/55/210279955.db2.gz BJSYMVNHOQCIKH-ZDUSSCGKSA-N 0 0 398.390 3.655 40 0 GHABRN Cc1cc(Nc2cccc(C(=O)Nc3nc4c(s3)CN(C)CC4)c2)nc(C)n1 ZINC000019655023 210276962 /nfs/dbraw/zinc/27/69/62/210276962.db2.gz FUILAKHHBPRSON-UHFFFAOYSA-N 0 0 394.504 3.534 40 0 GHABRN Cc1cc(C)n(CCc2nnc(NC(=O)c3cc4cc(C)ccc4n3C)s2)n1 ZINC000019655346 210276673 /nfs/dbraw/zinc/27/66/73/210276673.db2.gz GNGOXFKOHYSCMH-UHFFFAOYSA-N 0 0 394.504 3.647 40 0 GHABRN Cc1nn(C)cc1-c1cc(C(=O)Nc2ccc3c(c2)nc(C(C)C)n3C)on1 ZINC000019584109 210271255 /nfs/dbraw/zinc/27/12/55/210271255.db2.gz KIEURTPYVKRKMG-UHFFFAOYSA-N 0 0 378.436 3.646 40 0 GHABRN CN(C)c1ccc(C(=O)N2CCC[C@@H](c3ncncc3-c3ccncc3)C2)cc1 ZINC000012118523 221152976 /nfs/dbraw/zinc/15/29/76/221152976.db2.gz HLFREADJYCBTEN-LJQANCHMSA-N 0 0 387.487 3.624 40 0 GHABRN Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)C3(c4ccccc4)CC3)C2)on1 ZINC000012118425 221153176 /nfs/dbraw/zinc/15/31/76/221153176.db2.gz YXNAODVJWOUVNH-QGZVFWFLSA-N 0 0 388.471 3.878 40 0 GHABRN Cc1nn(CC(=O)N2CCC(c3onc4c3C[C@@H](C)CC4)CC2)c(C)c1Cl ZINC000012119923 221153641 /nfs/dbraw/zinc/15/36/41/221153641.db2.gz APDGUCTYBKVOJH-LBPRGKRZSA-N 0 0 390.915 3.672 40 0 GHABRN COc1ccccc1OCC(=O)N1CCC(c2onc3c2C[C@@H](C)CC3)CC1 ZINC000012120324 221154228 /nfs/dbraw/zinc/15/42/28/221154228.db2.gz MCJOLLJVRMBTKB-HNNXBMFYSA-N 0 0 384.476 3.593 40 0 GHABRN Cc1ccc(-c2cc(N)c(=O)n([C@H](C)C(=O)Nc3ccc4c(c3)CCC4)n2)s1 ZINC000012181701 221162912 /nfs/dbraw/zinc/16/29/12/221162912.db2.gz LXDSNYGODMPEFC-CYBMUJFWSA-N 0 0 394.500 3.551 40 0 GHABRN CC(C)n1cc(C(=O)N2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)cn1 ZINC000012184462 221163876 /nfs/dbraw/zinc/16/38/76/221163876.db2.gz RXMFTAQWPWVUTF-HNNXBMFYSA-N 0 0 388.855 3.503 40 0 GHABRN OCc1ccccc1CN(Cc1ccnc(N2CCCC2)n1)c1ccc(F)cc1 ZINC000012364386 221185640 /nfs/dbraw/zinc/18/56/40/221185640.db2.gz FVGBVTKQHZSNQK-UHFFFAOYSA-N 0 0 392.478 3.915 40 0 GHABRN COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O ZINC000409088879 533471238 /nfs/dbraw/zinc/47/12/38/533471238.db2.gz LZJDMYJVWOKMMT-AWNIVKPZSA-N 0 0 379.199 3.805 40 0 GHABRN COc1ccc(CNC(=O)COc2ccc(C3SCCS3)cc2)cc1 ZINC000005584431 533587743 /nfs/dbraw/zinc/58/77/43/533587743.db2.gz UQCJULHIDBPSHU-UHFFFAOYSA-N 0 0 375.515 3.869 40 0 GHABRN O[C@@H]1CCCN(c2c3c(nc4cc(-c5ccc(Cl)cc5)nn42)CCCC3)C1 ZINC000001341506 136193177 /nfs/dbraw/zinc/19/31/77/136193177.db2.gz CQILNDNZQIGOTP-MRXNPFEDSA-N 0 0 382.895 3.890 40 0 GHABRN Cc1sc2nc(C)nc(N3CCN(C(=O)c4ccc(C)cc4)CC3)c2c1C ZINC000001377222 136193326 /nfs/dbraw/zinc/19/33/26/136193326.db2.gz ALOFPNDWFIZEJS-UHFFFAOYSA-N 0 0 380.517 3.887 40 0 GHABRN CCC(CC)C(=O)N[C@H]1CC(C)(C)Cc2nc(N3C[C@@H](C)O[C@@H](C)C3)ncc21 ZINC000012241883 136200221 /nfs/dbraw/zinc/20/02/21/136200221.db2.gz QAJSTZKCKDPPAO-DAYGRLMNSA-N 0 0 388.556 3.656 40 0 GHABRN Cc1ccc2[nH]c(=O)c(CN(C)c3ccc(N4CCC[C@@H](O)C4)cc3C)cc2c1 ZINC000013565501 136201127 /nfs/dbraw/zinc/20/11/27/136201127.db2.gz MQXWDPGDPKNFRW-OAQYLSRUSA-N 0 0 391.515 3.742 40 0 GHABRN O=c1[nH]c2cc3c(cc2cc1CNc1ccc(N2CCC[C@@H](O)C2)cc1)CCC3 ZINC000013563487 136201300 /nfs/dbraw/zinc/20/13/00/136201300.db2.gz BSUOTJQCROWVEH-JOCHJYFZSA-N 0 0 389.499 3.590 40 0 GHABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1C ZINC000222591349 136204878 /nfs/dbraw/zinc/20/48/78/136204878.db2.gz IBXSVSWUDRJYEB-QGZVFWFLSA-N 0 0 386.517 3.724 40 0 GHABRN CCCN1c2ccc(C(=O)Nc3ccc(C)cc3C)cc2S(=O)(=O)N=C1C ZINC000223111018 136205611 /nfs/dbraw/zinc/20/56/11/136205611.db2.gz JYONSMSJSIGWIN-UHFFFAOYSA-N 0 0 385.489 3.893 40 0 GHABRN C[C@@H]1CCCN(c2ccc(NC(=S)NCc3ccc4c(c3)OCCO4)cn2)C1 ZINC000224050746 136206330 /nfs/dbraw/zinc/20/63/30/136206330.db2.gz RXQNCOWECKISOW-OAHLLOKOSA-N 0 0 398.532 3.576 40 0 GHABRN C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 ZINC000047081072 533999041 /nfs/dbraw/zinc/99/90/41/533999041.db2.gz NVVYHMJLWTWAGW-AEFFLSMTSA-N 0 0 398.528 3.856 40 0 GHABRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=S)NC(=O)C(C)C ZINC000408620468 534138893 /nfs/dbraw/zinc/13/88/93/534138893.db2.gz JCGNNKMDVGWLGK-UHFFFAOYSA-N 0 0 387.896 3.851 40 0 GHABRN NC(=O)COc1ccc(CNc2ccc(F)c(Cl)c2)cc1Br ZINC000408607201 534339004 /nfs/dbraw/zinc/33/90/04/534339004.db2.gz JUAVXOFYZBWKKG-UHFFFAOYSA-N 0 0 387.636 3.718 40 0 GHABRN Cc1ccsc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O ZINC000408882539 534456326 /nfs/dbraw/zinc/45/63/26/534456326.db2.gz OXSXQVDIEKPXBX-ZSOIEALJSA-N 0 0 376.434 3.871 40 0 GHABRN CCn1c(COc2ccccc2C)nnc1SCC(=O)N1CCC[C@@H](C)C1 ZINC000000904823 523199782 /nfs/dbraw/zinc/19/97/82/523199782.db2.gz CRENQRXRUDYXOR-OAHLLOKOSA-N 0 0 388.537 3.536 40 0 GHABRN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 ZINC000408560190 528046647 /nfs/dbraw/zinc/04/66/47/528046647.db2.gz CLPLMGGIDAJRAK-UHFFFAOYSA-N 0 0 375.494 3.978 40 0 GHABRN CCCC1=NC(=S)N[C@H](c2ccc(OCC)c(OCC)c2)C1C(=O)OCC ZINC000408606633 528065892 /nfs/dbraw/zinc/06/58/92/528065892.db2.gz JILAKRMNTMNDHX-GOSISDBHSA-N 0 0 392.521 3.620 40 0 GHABRN CCOC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC000019529860 528115866 /nfs/dbraw/zinc/11/58/66/528115866.db2.gz FSYBVIZTRUHGCI-NVVBAYIOSA-N 0 0 396.487 3.712 40 0 GHABRN CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1O ZINC000409244899 528194223 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CCC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000006944987 528894541 /nfs/dbraw/zinc/89/45/41/528894541.db2.gz PVLYPPVVQHIQCQ-OAHLLOKOSA-N 0 0 394.924 3.840 40 0 GHABRN CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC ZINC000408678330 529159365 /nfs/dbraw/zinc/15/93/65/529159365.db2.gz FSYNAXXXCLJPSI-KRWDZBQOSA-N 0 0 387.432 3.595 40 0 GHABRN CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1)C(=O)c1ccccc1 ZINC000408658110 529238894 /nfs/dbraw/zinc/23/88/94/529238894.db2.gz UVRUZKKIERGUDG-UYAOXDASSA-N 0 0 379.456 3.861 40 0 GHABRN O=C(Nc1cccs1)O[C@H]1COCCN(c2nc3ccccc3s2)C1 ZINC000096269054 560054318 /nfs/dbraw/zinc/05/43/18/560054318.db2.gz HCYBGJRBYQPLCB-GFCCVEGCSA-N 0 0 375.475 3.812 40 0 biogenic,in-vitro GHABRN COc1ccc(O[C@H]2COCCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000096113223 560060465 /nfs/dbraw/zinc/06/04/65/560060465.db2.gz BNJHRVIAVPVRGR-GOSISDBHSA-N 0 0 395.377 3.634 40 0 biogenic,in-vitro GHABRN COc1ccccc1C(=O)NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1 ZINC000096112906 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CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 ZINC000408594431 528047556 /nfs/dbraw/zinc/04/75/56/528047556.db2.gz RSOIHSLGVKMXPY-UHFFFAOYSA-N 0 0 383.420 3.639 40 0 GHABRN CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nccs1 ZINC000408736268 528076034 /nfs/dbraw/zinc/07/60/34/528076034.db2.gz ADMRXQWDWVDXBR-INIZCTEOSA-N 0 0 386.477 3.556 40 0 GHABRN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(F)cc4)cc3)C(=O)[C@@H]2C1 ZINC000408684565 528123231 /nfs/dbraw/zinc/12/32/31/528123231.db2.gz PCDTYPFMCOIRHF-RTBURBONSA-N 0 0 378.403 3.924 40 0 GHABRN CCOc1cc(/C=C\C(N)=O)ccc1OCc1ccc(Br)cc1 ZINC000409416178 528199527 /nfs/dbraw/zinc/19/95/27/528199527.db2.gz LMUZMFYWNZTVLU-POHAHGRESA-N 0 0 376.250 3.925 40 0 GHABRN CCOc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1NC(C)=O ZINC000408559418 528589612 /nfs/dbraw/zinc/58/96/12/528589612.db2.gz WYGZVEQWCABNHW-UHFFFAOYSA-N 0 0 384.457 3.998 40 0 GHABRN CCCCOCc1c(I)cnn1CCC(F)(F)F ZINC000408716417 528627527 /nfs/dbraw/zinc/62/75/27/528627527.db2.gz MSXHBVCNJCFQDA-UHFFFAOYSA-N 0 0 376.160 3.757 40 0 GHABRN CCCOc1ccc(C(=O)Nc2ccc(I)cn2)cc1 ZINC000408623389 528653695 /nfs/dbraw/zinc/65/36/95/528653695.db2.gz TUPCYVYVUCYAHX-UHFFFAOYSA-N 0 0 382.201 3.727 40 0 GHABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(OC(C)C)cc2)C1=O ZINC000409214659 529183542 /nfs/dbraw/zinc/18/35/42/529183542.db2.gz ZHZDOKOEAQVNGK-ATTDUZETSA-N 0 0 377.462 3.852 40 0 GHABRN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000408622175 529274201 /nfs/dbraw/zinc/27/42/01/529274201.db2.gz ONCASHQMHAHIGZ-LBPRGKRZSA-N 0 0 386.473 3.804 40 0 GHABRN CC[C@H](NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1C ZINC000224385200 535874943 /nfs/dbraw/zinc/87/49/43/535874943.db2.gz LFMZJIDLRIWWTO-FQEVSTJZSA-N 0 0 386.517 3.806 40 0 GHABRN COc1cc(C(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc(OC)c1OC ZINC000226255352 536529162 /nfs/dbraw/zinc/52/91/62/536529162.db2.gz FFDXJZHFQKCJJG-UHFFFAOYSA-N 0 0 399.491 3.783 40 0 GHABRN COCCNc1cc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)ccn1 ZINC000035424543 560081146 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VITUEQWYFJDJRL-UHFFFAOYSA-N 0 0 389.386 3.682 40 0 GHABRN CCC(CC)C(=O)N1CCC(COc2ccc(Cl)c(C)c2)(CC(N)=O)CC1 ZINC000585268752 570234820 /nfs/dbraw/zinc/23/48/20/570234820.db2.gz DWXMMDXQXDZHRF-UHFFFAOYSA-N 0 0 394.943 3.948 40 0 GHABRN O=C1C[C@@]2(CCc3ccccc32)C(=O)N1Cc1cc(F)ccc1OC(F)F ZINC000664006197 570280553 /nfs/dbraw/zinc/28/05/53/570280553.db2.gz XXIJWRGYNPCHCU-HXUWFJFHSA-N 0 0 375.346 3.570 40 0 GHABRN Cc1nc2ccc(NC(=O)Nc3ccc(N4CCOCC4)cc3)cc2nc1C ZINC000000780579 570294389 /nfs/dbraw/zinc/29/43/89/570294389.db2.gz QOWHJYPFJWOKOZ-UHFFFAOYSA-N 0 0 377.448 3.727 40 0 GHABRN COc1cccc(C2(NC(=O)N[C@@H]3CCO[C@@H](c4cccnc4)C3)CCC2)c1 ZINC000665034834 570299294 /nfs/dbraw/zinc/29/92/94/570299294.db2.gz MXXGMJZBGIJTRG-UYAOXDASSA-N 0 0 381.476 3.689 40 0 GHABRN CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000216391286 570300727 /nfs/dbraw/zinc/30/07/27/570300727.db2.gz RUNRUXFAKGRGIO-UHFFFAOYSA-N 0 0 380.897 3.979 40 0 GHABRN C[C@@H](NC(=O)c1cn(C)c2ccccc2c1=O)c1cccc(Br)c1 ZINC000022234312 570308855 /nfs/dbraw/zinc/30/88/55/570308855.db2.gz HUICAUQTRWGWQW-GFCCVEGCSA-N 0 0 385.261 3.792 40 0 GHABRN CCn1cc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)c2cc(OC)ccc21 ZINC000022236070 570309141 /nfs/dbraw/zinc/30/91/41/570309141.db2.gz MSFGKOXZFYOVSP-FQEVSTJZSA-N 0 0 376.456 3.837 40 0 GHABRN COc1cc(NC(=O)c2cn3c4c(cccc4c2=O)CCC3)c(OC)cc1Cl ZINC000022235515 570309186 /nfs/dbraw/zinc/30/91/86/570309186.db2.gz OXOVUEJRCSKDHH-UHFFFAOYSA-N 0 0 398.846 3.871 40 0 GHABRN Cn1cc(C(=O)NCc2ccc(Cl)cc2Cl)c(=O)c2cc(F)ccc21 ZINC000022236175 570309189 /nfs/dbraw/zinc/30/91/89/570309189.db2.gz JNRHRGKPTLDKKL-UHFFFAOYSA-N 0 0 379.218 3.914 40 0 GHABRN CC[C@H](NC(=O)CN(c1ccccc1C)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000022327151 570313206 /nfs/dbraw/zinc/31/32/06/570313206.db2.gz GRTZRJXLVKRQBF-IBGZPJMESA-N 0 0 388.533 3.645 40 0 GHABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCCCC3)nc2)cc1 ZINC000072216051 570316987 /nfs/dbraw/zinc/31/69/87/570316987.db2.gz SZZSEYQPNMIJJQ-HXUWFJFHSA-N 0 0 385.533 3.906 40 0 GHABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCCC3)nc2C)cc1 ZINC000072218929 570318141 /nfs/dbraw/zinc/31/81/41/570318141.db2.gz BVWDZCWAKMVWIS-HXUWFJFHSA-N 0 0 385.533 3.824 40 0 GHABRN O=c1c2c(ccn1-c1ccc(F)c(Cl)c1)nc1ncnn1c2-c1ccccc1 ZINC000022607880 570322838 /nfs/dbraw/zinc/32/28/38/570322838.db2.gz BQYCUFUFCUSYHN-UHFFFAOYSA-N 0 0 391.793 3.888 40 0 GHABRN Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)C)c2ccc(C(C)C)cc2)cc1 ZINC000022275638 570330377 /nfs/dbraw/zinc/33/03/77/570330377.db2.gz XFXNAQKNGVDKOR-UHFFFAOYSA-N 0 0 388.533 3.838 40 0 GHABRN Cc1cccc(N(CCCC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c1C ZINC000113962550 570337109 /nfs/dbraw/zinc/33/71/09/570337109.db2.gz XUXSRDQNSKLACY-UHFFFAOYSA-N 0 0 396.459 3.767 40 0 GHABRN CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000113970913 570338799 /nfs/dbraw/zinc/33/87/99/570338799.db2.gz YFDRRCKZCLEUIG-LJQANCHMSA-N 0 0 393.487 3.897 40 0 GHABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000113971179 570339091 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381.432 3.527 40 0 GHABRN CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1nc(-c2ccc(OC)cc2)no1 ZINC000219381005 570357731 /nfs/dbraw/zinc/35/77/31/570357731.db2.gz KSBNKYGDWBWFQH-SFHVURJKSA-N 0 0 395.459 3.836 40 0 GHABRN O=C(COc1ccccc1N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(F)cc1 ZINC000004145801 570359838 /nfs/dbraw/zinc/35/98/38/570359838.db2.gz KDUWCKWPQZLEGZ-RWFYYTQISA-N 0 0 393.414 3.623 40 0 GHABRN CC(C)C[C@H](c1nnnn1C(C)C)N1CCN(c2nc3ccccc3s2)CC1 ZINC000057670198 570367934 /nfs/dbraw/zinc/36/79/34/570367934.db2.gz SGOWZXSEGSBGHL-QGZVFWFLSA-N 0 0 399.568 3.773 40 0 GHABRN O=C(Nc1ccc(I)cc1F)c1cccnc1Cl ZINC000408621948 570371933 /nfs/dbraw/zinc/37/19/33/570371933.db2.gz NITGDIYUHYHVNR-UHFFFAOYSA-N 0 0 376.556 3.731 40 0 GHABRN COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c1C ZINC000219678602 570372881 /nfs/dbraw/zinc/37/28/81/570372881.db2.gz MEMBFBBEBCFZIG-LBPRGKRZSA-N 0 0 392.249 3.950 40 0 GHABRN COc1cccc(CCCNC(=O)[C@H](C)Oc2ccc(Br)cc2)c1 ZINC000219681989 570372887 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/nfs/dbraw/zinc/04/82/16/212048216.db2.gz JPHWQYBFLPDZDM-UYAOXDASSA-N 0 0 382.510 3.565 40 0 GHABRN Cc1ccc(-c2ccc3c([C@H]4CN(Cc5cccc(C)n5)CCO4)nnn3c2)cc1 ZINC000306128502 212046522 /nfs/dbraw/zinc/04/65/22/212046522.db2.gz HCJRLXOMINORPK-HSZRJFAPSA-N 0 0 399.498 3.982 40 0 GHABRN O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2CN(Cc3ccccn3)C[C@H]21 ZINC000306126189 212045142 /nfs/dbraw/zinc/04/51/42/212045142.db2.gz DPCNZDCLKRZQAY-RBBKRZOGSA-N 0 0 394.471 3.643 40 0 GHABRN CCCCC[C@]1(O)CCN(C(=O)c2ccc(O)cc2)C[C@@H]1Oc1ccccc1 ZINC000257321914 212024377 /nfs/dbraw/zinc/02/43/77/212024377.db2.gz WDVHSMLALCQTJA-GMAHTHKFSA-N 0 0 383.488 3.997 40 0 GHABRN Cc1noc(C)c1-c1cc([C@@H]2CCCN2C(=O)c2ccc(C)nc2)nc(C)n1 ZINC000257314201 212024405 /nfs/dbraw/zinc/02/44/05/212024405.db2.gz UVTFPDCWFCVJSP-IBGZPJMESA-N 0 0 377.448 3.738 40 0 GHABRN Cc1noc(C)c1-c1cccc(C2CCN(C(=O)Cn3cc(Cl)cn3)CC2)n1 ZINC000257313715 212021242 /nfs/dbraw/zinc/02/12/42/212021242.db2.gz UTUCITBUTQYLEC-UHFFFAOYSA-N 0 0 399.882 3.610 40 0 GHABRN CNC(=O)[C@@]1(c2ccccn2)CCCN(C(=O)c2ccccc2-c2ccccc2)C1 ZINC000257304684 212020197 /nfs/dbraw/zinc/02/01/97/212020197.db2.gz SMSLHTHELJJOQR-VWLOTQADSA-N 0 0 399.494 3.669 40 0 GHABRN Cc1nccc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n1 ZINC000257299047 212019830 /nfs/dbraw/zinc/01/98/30/212019830.db2.gz RONGKPZQFLLEFF-SFHVURJKSA-N 0 0 382.851 3.995 40 0 GHABRN CCC(CC)C(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(N)=O)CC1 ZINC000257299228 212019851 /nfs/dbraw/zinc/01/98/51/212019851.db2.gz RPEPCBSRMXCZKN-UHFFFAOYSA-N 0 0 393.531 3.821 40 0 GHABRN Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)n1 ZINC000257292352 212018136 /nfs/dbraw/zinc/01/81/36/212018136.db2.gz QLCGIQWCGZTUKW-GOSISDBHSA-N 0 0 396.466 3.624 40 0 GHABRN COCCN1C(=O)CC[C@@H](C(=O)NCc2ccccc2C)[C@@H]1c1ccccc1C ZINC000257285276 212017573 /nfs/dbraw/zinc/01/75/73/212017573.db2.gz PGKFQHOFEMAIRU-GGAORHGYSA-N 0 0 394.515 3.546 40 0 GHABRN O=C(NC[C@H]1CCCOC1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 ZINC000257276049 212016511 /nfs/dbraw/zinc/01/65/11/212016511.db2.gz NSDSCTITRDTMPD-HXUWFJFHSA-N 0 0 394.515 3.631 40 0 GHABRN O=C(c1ncccn1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257279166 212015907 /nfs/dbraw/zinc/01/59/07/212015907.db2.gz OFHKTAPTYOIIOT-OAHLLOKOSA-N 0 0 382.851 3.729 40 0 GHABRN CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)CC(C)C)CC1 ZINC000257270569 212014694 /nfs/dbraw/zinc/01/46/94/212014694.db2.gz MUTQIKJSOAIZLM-UHFFFAOYSA-N 0 0 393.531 3.692 40 0 GHABRN CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccc(F)cc2)[C@@H]1c1ccccc1F ZINC000257268053 212014425 /nfs/dbraw/zinc/01/44/25/212014425.db2.gz MKACRZVXFNNKOE-NQIIRXRSSA-N 0 0 386.442 3.923 40 0 GHABRN Cc1nccc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)n1 ZINC000257277907 212015800 /nfs/dbraw/zinc/01/58/00/212015800.db2.gz NZZCKXNRVKOJER-SFHVURJKSA-N 0 0 382.851 3.995 40 0 GHABRN Brc1ccccc1CNc1cc(-c2ccccc2)nc(NC2CC2)n1 ZINC000329072567 209162231 /nfs/dbraw/zinc/16/22/31/209162231.db2.gz ZZUPOTHINJQRGQ-UHFFFAOYSA-N 0 0 395.304 3.936 40 0 GHABRN Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCCN2C(=O)c2cccnc2)n1 ZINC000257250391 212010925 /nfs/dbraw/zinc/01/09/25/212010925.db2.gz JMIQPFZONKMYQB-GOSISDBHSA-N 0 0 377.448 3.819 40 0 GHABRN CCN1C(=O)CC[C@@H](C(=O)NCCc2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 ZINC000257245502 212010357 /nfs/dbraw/zinc/01/03/57/212010357.db2.gz IPTQPPMYSUJLMY-GGAORHGYSA-N 0 0 394.515 3.662 40 0 GHABRN Cc1nn(C)cc1CN1CCO[C@H](c2cc(Cc3ccc(C)cc3)cc(C)n2)C1 ZINC000257236142 212008126 /nfs/dbraw/zinc/00/81/26/212008126.db2.gz HAYSFZZANUAPDB-DEOSSOPVSA-N 0 0 390.531 3.905 40 0 GHABRN Cn1nccc1C(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257224231 212006858 /nfs/dbraw/zinc/00/68/58/212006858.db2.gz FAWSHNVWAWDVFN-HNNXBMFYSA-N 0 0 384.867 3.672 40 0 GHABRN C[C@H]1CCC[C@H](C)N1C(=O)c1c[nH]nc1C1CCN(C(=O)C2CCCC2)CC1 ZINC000257210123 212003278 /nfs/dbraw/zinc/00/32/78/212003278.db2.gz BTGWKVSPRZEWHW-HOTGVXAUSA-N 0 0 386.540 3.709 40 0 GHABRN O=C([O-])COc1ccccc1C[N@@H+]1C[C@@H]2CC[C@H](Oc3cccc(F)c3)[C@@H]2C1 ZINC000257211464 212002919 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Cc1ccc(C)c(CC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)c1 ZINC000225590266 211908953 /nfs/dbraw/zinc/90/89/53/211908953.db2.gz ZIKHLBLRYZJNHZ-GOSISDBHSA-N 0 0 384.495 3.927 40 0 GHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccc(C)cc1 ZINC000225410537 211895106 /nfs/dbraw/zinc/89/51/06/211895106.db2.gz AXSFOMASTQAECG-RBUKOAKNSA-N 0 0 396.531 3.878 40 0 GHABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1)C(=O)Cc1ccc(OC)cc1 ZINC000225484132 211900306 /nfs/dbraw/zinc/90/03/06/211900306.db2.gz BIFPIQUEWHNHKU-PGRDOPGGSA-N 0 0 396.531 3.960 40 0 GHABRN O=C(COc1ccccc1)N1CCS/C1=C\c1nc(-c2ccccc2F)no1 ZINC000225241444 211888161 /nfs/dbraw/zinc/88/81/61/211888161.db2.gz GWVOKAWHLHKWOG-XDHOZWIPSA-N 0 0 397.431 3.829 40 0 GHABRN COC(=O)c1cccc(S(=O)(=O)N[C@H](C)CC(C)(C)c2ccccc2)c1 ZINC000224709058 211871051 /nfs/dbraw/zinc/87/10/51/211871051.db2.gz YYPBPNGYFGLMEZ-OAHLLOKOSA-N 0 0 375.490 3.508 40 0 GHABRN Cc1cc(OCn2ccc(C(=O)NCc3ccc4c(c3)OCO4)n2)ccc1Cl ZINC000027972816 211865207 /nfs/dbraw/zinc/86/52/07/211865207.db2.gz XRDVUPLCHCHSKQ-UHFFFAOYSA-N 0 0 399.834 3.540 40 0 GHABRN CCCc1ccc(OCCNC(=O)COc2ccc(Br)cc2)cc1 ZINC000224241161 211857629 /nfs/dbraw/zinc/85/76/29/211857629.db2.gz BWDMGOHIWRWWLO-UHFFFAOYSA-N 0 0 392.293 3.976 40 0 GHABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 ZINC000224313910 211859926 /nfs/dbraw/zinc/85/99/26/211859926.db2.gz OEHVSNOTSGQEKP-INIZCTEOSA-N 0 0 388.458 3.697 40 0 GHABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCOc1ccc(C)cc1 ZINC000224079042 211851613 /nfs/dbraw/zinc/85/16/13/211851613.db2.gz RQYWMYDYFFNOPR-FQEVSTJZSA-N 0 0 396.531 3.750 40 0 GHABRN COc1ccc(C(=O)Oc2ccccc2C=C2N[C@H]3CCCCCN3C2=O)cc1 ZINC000027525743 211853639 /nfs/dbraw/zinc/85/36/39/211853639.db2.gz ICWKZBQBTTXPMD-OHUBLEDJSA-N 0 0 392.455 3.587 40 0 GHABRN CCC(=O)N(Cc1cccc(OC)c1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC ZINC000224014187 211849720 /nfs/dbraw/zinc/84/97/20/211849720.db2.gz MMSGJUNFJJUXBM-GCJKJVERSA-N 0 0 396.531 3.960 40 0 GHABRN CCOC(=O)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 ZINC000223647331 211840410 /nfs/dbraw/zinc/84/04/10/211840410.db2.gz WDZCZDBGDHEPPZ-PMACEKPBSA-N 0 0 398.532 3.534 40 0 GHABRN CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NC[C@@H]1CCCO1)c1ccccc1 ZINC000223344449 211828777 /nfs/dbraw/zinc/82/87/77/211828777.db2.gz JEHCEIRYHZCLKB-JTHBVZDNSA-N 0 0 394.515 3.852 40 0 GHABRN CC[C@@H](NS(=O)(=O)c1c(C)cc(OC)cc1C)c1ccc(OC)c(OC)c1 ZINC000223155594 211822766 /nfs/dbraw/zinc/82/27/66/211822766.db2.gz FUGQQALRHYYKFN-QGZVFWFLSA-N 0 0 393.505 3.759 40 0 GHABRN CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F ZINC000223283678 211826721 /nfs/dbraw/zinc/82/67/21/211826721.db2.gz LSARLLXDDRQJEU-INIZCTEOSA-N 0 0 388.458 3.841 40 0 GHABRN CC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccco1 ZINC000223190845 211825542 /nfs/dbraw/zinc/82/55/42/211825542.db2.gz CNUJKWNWCSYBHQ-QFIPXVFZSA-N 0 0 394.446 3.695 40 0 GHABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000222918650 211815544 /nfs/dbraw/zinc/81/55/44/211815544.db2.gz BYQLHJABCXHCTA-AWEZNQCLSA-N 0 0 393.314 3.742 40 0 GHABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1cccnc1 ZINC000222726927 211808888 /nfs/dbraw/zinc/80/88/88/211808888.db2.gz CXKDLIMLVUYCOE-WOJBJXKFSA-N 0 0 377.517 3.546 40 0 GHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000222584035 211805945 /nfs/dbraw/zinc/80/59/45/211805945.db2.gz HJFWAEZGARLVAT-LBPRGKRZSA-N 0 0 397.277 3.838 40 0 GHABRN C[C@H](C(=O)NCc1ccco1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000222762498 211810218 /nfs/dbraw/zinc/81/02/18/211810218.db2.gz SPEVANLJPODVBA-GOSISDBHSA-N 0 0 376.456 3.556 40 0 GHABRN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000004944444 211554299 /nfs/dbraw/zinc/55/42/99/211554299.db2.gz DCKINEDVWJNDLM-SNVBAGLBSA-N 0 0 383.395 3.765 40 0 GHABRN CC[C@@H](C)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 ZINC000004500472 211546641 /nfs/dbraw/zinc/54/66/41/211546641.db2.gz ZQSVCERZGKGOKF-MRXNPFEDSA-N 0 0 395.532 3.953 40 0 GHABRN CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCCC1 ZINC000001355066 211506341 /nfs/dbraw/zinc/50/63/41/211506341.db2.gz MQDAGKFYKVLYIK-UHFFFAOYSA-N 0 0 397.450 3.759 40 0 GHABRN Cc1occc1-c1nnc(SCC(=O)N2CCCC2)n1-c1cccc(C)c1 ZINC000001361230 211506223 /nfs/dbraw/zinc/50/62/23/211506223.db2.gz KZFMJHJMXQATIB-UHFFFAOYSA-N 0 0 382.489 3.859 40 0 GHABRN O=C(CSc1nnc(-c2ccco2)n1-c1ccc(F)cc1)NCc1ccco1 ZINC000000905378 211496374 /nfs/dbraw/zinc/49/63/74/211496374.db2.gz SUPHNULLAZITAU-UHFFFAOYSA-N 0 0 398.419 3.668 40 0 GHABRN Cc1cccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)c1C ZINC000113965621 211469645 /nfs/dbraw/zinc/46/96/45/211469645.db2.gz YHIGYWUQPKUFAV-UHFFFAOYSA-N 0 0 378.469 3.627 40 0 GHABRN COc1ccc(-c2nn3c([nH]c([C@H](C)Cn4nccc4C)cc3=O)c2C)cc1 ZINC000100775723 211390314 /nfs/dbraw/zinc/39/03/14/211390314.db2.gz UQWSTZOKYOJNEX-CYBMUJFWSA-N 0 0 377.448 3.728 40 0 GHABRN Fc1cccc(Nc2ccc3c([C@@H]4CCCN4c4ncccn4)nnn3c2)c1 ZINC000096267970 211327987 /nfs/dbraw/zinc/32/79/87/211327987.db2.gz 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/nfs/dbraw/zinc/36/76/27/528367627.db2.gz SABHCWLAIHFUSL-GZTJUZNOSA-N 0 0 384.407 3.716 40 0 GHABRN CCOc1ccc(/C=C2/SC(=O)N(CCOC)C2=O)cc1Br ZINC000409128434 528369506 /nfs/dbraw/zinc/36/95/06/528369506.db2.gz IIMDURYXGKHDKZ-UKTHLTGXSA-N 0 0 386.267 3.531 40 0 GHABRN CCCCN1C(=O)S/C(=C\c2cn(CC(=O)NC3CC3)c3ccccc23)C1=O ZINC000409133772 528451151 /nfs/dbraw/zinc/45/11/51/528451151.db2.gz RPPGHWGHMPVRCO-WQRHYEAKSA-N 0 0 397.500 3.756 40 0 GHABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2cc(C)ccc2C)ccc1OC ZINC000408585641 529107565 /nfs/dbraw/zinc/10/75/65/529107565.db2.gz HKMUYOGLLXFYJA-UHFFFAOYSA-N 0 0 378.450 3.681 40 0 GHABRN CC(C)C(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(C)(=O)=O)C[C@@H]1C ZINC000014607290 535374405 /nfs/dbraw/zinc/37/44/05/535374405.db2.gz HZGNBFCYRNEQEU-JXFKEZNVSA-N 0 0 386.517 3.975 40 0 GHABRN CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000031157139 560090626 /nfs/dbraw/zinc/09/06/26/560090626.db2.gz FBWWXAGANVJTLU-HEXLTJKYSA-N 0 0 378.509 3.785 40 0 biogenic,in-vitro GHABRN O[C@@H]1C[C@@H](c2nc(-c3ccncc3)no2)N(Cc2ccc(-c3ccccn3)cc2)C1 ZINC000015674474 560231036 /nfs/dbraw/zinc/23/10/36/560231036.db2.gz PICGJTAZICDVBT-CTNGQTDRSA-N 0 0 399.454 3.502 40 0 biogenic,in-vitro GHABRN Cc1cc(Br)ccc1Nc1cc(-c2ccccc2)nc(NCCO)n1 ZINC000328985381 570210682 /nfs/dbraw/zinc/21/06/82/570210682.db2.gz HTHYEACAGOPVSS-UHFFFAOYSA-N 0 0 399.292 3.784 40 0 GHABRN Cc1nc(/C=C/C(=O)N2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cs1 ZINC000585289411 570257229 /nfs/dbraw/zinc/25/72/29/570257229.db2.gz FTOBSMCUZBSWQN-XGTLJDLRSA-N 0 0 398.528 3.832 40 0 GHABRN CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 ZINC000101708110 570284875 /nfs/dbraw/zinc/28/48/75/570284875.db2.gz IXYSNJPFISXRPY-HLIPFELVSA-N 0 0 384.520 3.633 40 0 GHABRN COC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)o2)c1 ZINC000216027090 570294726 /nfs/dbraw/zinc/29/47/26/570294726.db2.gz MTWKAWQNAOGZOC-UHFFFAOYSA-N 0 0 383.429 3.562 40 0 GHABRN COc1cc(OC)cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000001943885 570297583 /nfs/dbraw/zinc/29/75/83/570297583.db2.gz REXIHEPKWQYYLG-UHFFFAOYSA-N 0 0 384.215 3.806 40 0 GHABRN CC[C@H](C(=O)N(C)Cc1ccc(Cl)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000216329942 570298815 /nfs/dbraw/zinc/29/88/15/570298815.db2.gz OODOLDXJPGKWEU-GOSISDBHSA-N 0 0 394.924 3.543 40 0 GHABRN CC[C@H](NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000022328097 570313354 /nfs/dbraw/zinc/31/33/54/570313354.db2.gz FALKBNHLHJMHCE-FQEVSTJZSA-N 0 0 388.533 3.645 40 0 GHABRN Cc1ccc([C@@H](C)NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1C ZINC000022331106 570313625 /nfs/dbraw/zinc/31/36/25/570313625.db2.gz VQBKSGLFCMVOCG-OAHLLOKOSA-N 0 0 394.924 3.600 40 0 GHABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)nc2)cc1 ZINC000072211562 570313743 /nfs/dbraw/zinc/31/37/43/570313743.db2.gz OSASCDABGQRYID-OAHLLOKOSA-N 0 0 381.295 3.678 40 0 GHABRN CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1NC(=O)OC(C)(C)C ZINC000072214362 570314538 /nfs/dbraw/zinc/31/45/38/570314538.db2.gz ISSSKVSWUMBHRZ-UHFFFAOYSA-N 0 0 379.457 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/nfs/dbraw/zinc/32/80/76/570328076.db2.gz ULLMLUSSEKRCML-UHFFFAOYSA-N 0 0 384.379 3.633 40 0 GHABRN CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1 ZINC000113969639 570338722 /nfs/dbraw/zinc/33/87/22/570338722.db2.gz GMRXOXKNBZUUIT-OAQYLSRUSA-N 0 0 396.487 3.518 40 0 GHABRN Cc1ccccc1N(CCCC(=O)NCc1ccccc1Cl)S(C)(=O)=O ZINC000113968134 570338747 /nfs/dbraw/zinc/33/87/47/570338747.db2.gz XXEJWMYYADFLQS-UHFFFAOYSA-N 0 0 394.924 3.511 40 0 GHABRN COc1cccc(C(=S)N2CCN(C)CC2)c1OCc1ccccc1Cl ZINC000408574322 570341819 /nfs/dbraw/zinc/34/18/19/570341819.db2.gz LVYFQTJKHFIZPA-UHFFFAOYSA-N 0 0 390.936 3.851 40 0 GHABRN CC[C@@H](Oc1ccc(F)cc1)C(=O)N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 ZINC000219328482 570355117 /nfs/dbraw/zinc/35/51/17/570355117.db2.gz RALJYDADXKALEL-RBUKOAKNSA-N 0 0 393.480 3.654 40 0 GHABRN CCC[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ccccc2F)CC1 ZINC000057669493 570366818 /nfs/dbraw/zinc/36/68/18/570366818.db2.gz AGWJSZNVIISDJV-HXUWFJFHSA-N 0 0 386.519 3.981 40 0 GHABRN Cn1c(CCCCCN2C(=O)c3cccc4cccc(c43)C2=O)n[nH]c1=S ZINC000023650160 570367939 /nfs/dbraw/zinc/36/79/39/570367939.db2.gz XJAZLCUGOMXSLQ-UHFFFAOYSA-N 0 0 380.473 3.640 40 0 GHABRN CC[C@H](Oc1ccccc1OC)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000219569773 570369357 /nfs/dbraw/zinc/36/93/57/570369357.db2.gz IFPPQXOLFMWRML-KRWDZBQOSA-N 0 0 395.459 3.870 40 0 GHABRN COc1cccc(CN2CCN(C(=O)Cc3c(F)cccc3Cl)[C@@H](C)C2)c1 ZINC000057729041 570371305 /nfs/dbraw/zinc/37/13/05/570371305.db2.gz WWXNAVUHJZTWMR-HNNXBMFYSA-N 0 0 390.886 3.763 40 0 GHABRN CC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000053774389 570372674 /nfs/dbraw/zinc/37/26/74/570372674.db2.gz IQJMIGIIMQIYIJ-UHFFFAOYSA-N 0 0 383.286 3.578 40 0 GHABRN CC(C)Oc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000219975332 570379411 /nfs/dbraw/zinc/37/94/11/570379411.db2.gz ZPPAYYJTDNWLIW-UHFFFAOYSA-N 0 0 388.489 3.511 40 0 GHABRN CCCOc1ccc(/C=C2\C(=O)N(CCC)C(C)=C2C(=O)OC)cc1OCC ZINC000006654658 570379801 /nfs/dbraw/zinc/37/98/01/570379801.db2.gz ZJOZHQJCBIJMTL-LGMDPLHJSA-N 0 0 387.476 3.957 40 0 GHABRN CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(O)c(Cl)c2)C1=O ZINC000006654527 570379837 /nfs/dbraw/zinc/37/98/37/570379837.db2.gz KETIXJYZFBDARO-GDNBJRDFSA-N 0 0 396.896 3.731 40 0 GHABRN COc1ccc(-c2nn(CC(=O)c3ccc4c(c3)OCCO4)c(=S)o2)cc1 ZINC000008492904 570381491 /nfs/dbraw/zinc/38/14/91/570381491.db2.gz HWORPHGKTLSGTG-UHFFFAOYSA-N 0 0 384.413 3.535 40 0 GHABRN Cc1cccc2cc(CN(Cc3ccccc3)C(=O)[C@@H]3CCCO3)c(=O)[nH]c12 ZINC000004540625 570383119 /nfs/dbraw/zinc/38/31/19/570383119.db2.gz YXBIPCXVDAKKLN-FQEVSTJZSA-N 0 0 376.456 3.544 40 0 GHABRN Cn1cc(-c2nnc(SCc3ccccc3Cl)n2C[C@H]2CCCO2)cn1 ZINC000032604298 570393100 /nfs/dbraw/zinc/39/31/00/570393100.db2.gz IBAAHKYWUHHDLB-OAHLLOKOSA-N 0 0 389.912 3.803 40 0 GHABRN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004725841 570398520 /nfs/dbraw/zinc/39/85/20/570398520.db2.gz CEPJBEGWTLDWBV-SFAMEIPESA-N 0 0 376.522 3.528 40 0 GHABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 ZINC000222399375 570409931 /nfs/dbraw/zinc/40/99/31/570409931.db2.gz FUGOUBFYZGUNFW-GOSISDBHSA-N 0 0 384.545 3.700 40 0 GHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl ZINC000222583425 570415528 /nfs/dbraw/zinc/41/55/28/570415528.db2.gz UBDRQVWGWFTOQQ-ZDUSSCGKSA-N 0 0 379.287 3.699 40 0 GHABRN CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1cccc2ccccc21 ZINC000222620776 570417256 /nfs/dbraw/zinc/41/72/56/570417256.db2.gz NESAYPVAHSBDAV-MRXNPFEDSA-N 0 0 394.446 3.521 40 0 GHABRN CCCOc1ccccc1CCCNC(=O)CCc1ccc2c(c1)OCCO2 ZINC000222644230 570418536 /nfs/dbraw/zinc/41/85/36/570418536.db2.gz RVNOFLQLNJFYQK-UHFFFAOYSA-N 0 0 383.488 3.928 40 0 GHABRN CC[C@H](NC(=O)CSCc1ccccc1F)c1ccc(S(C)(=O)=O)cc1 ZINC000222712607 570421918 /nfs/dbraw/zinc/42/19/18/570421918.db2.gz HSQFUWDLFVDTFB-SFHVURJKSA-N 0 0 395.521 3.730 40 0 GHABRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2cccnc2)c1C ZINC000222772503 570424990 /nfs/dbraw/zinc/42/49/90/570424990.db2.gz JALJVLQGQOFYLW-RTWAWAEBSA-N 0 0 391.544 3.936 40 0 GHABRN COc1cccc(OC)c1C(=O)NCCNc1ccnc2cc(Cl)ccc21 ZINC000222957963 570433094 /nfs/dbraw/zinc/43/30/94/570433094.db2.gz RCVFORPQPNBZJE-UHFFFAOYSA-N 0 0 385.851 3.747 40 0 GHABRN C[C@H](CN1CCN(C[C@@H](C)C(=O)c2ccccc2)CC1)C(=O)c1ccccc1 ZINC000022581560 570434443 /nfs/dbraw/zinc/43/44/43/570434443.db2.gz GIGZBFNCAMWHDI-WOJBJXKFSA-N 0 0 378.516 3.642 40 0 GHABRN CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1 ZINC000007939766 570436866 /nfs/dbraw/zinc/43/68/66/570436866.db2.gz UETOTEZPNFWTDA-UHFFFAOYSA-N 0 0 389.835 3.948 40 0 GHABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1C ZINC000223018904 570437537 /nfs/dbraw/zinc/43/75/37/570437537.db2.gz QYLYYHBDNGYDMG-RTWAWAEBSA-N 0 0 392.528 3.800 40 0 GHABRN Cc1cccc(C(C)C)c1NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000223045975 570439385 /nfs/dbraw/zinc/43/93/85/570439385.db2.gz PEIQRXYSRXFHSC-UHFFFAOYSA-N 0 0 388.533 3.940 40 0 GHABRN CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1cccc(Cl)c1 ZINC000223102947 570443693 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COc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2F)c1 ZINC000408628035 533404536 /nfs/dbraw/zinc/40/45/36/533404536.db2.gz PTCBLQCIWSIZLM-UHFFFAOYSA-N 0 0 383.242 3.724 40 0 GHABRN COc1cc(Br)cc(/C=C2/SC(=O)N(C(C)C)C2=O)c1OC ZINC000409023782 533487685 /nfs/dbraw/zinc/48/76/85/533487685.db2.gz PNIZTFAFZLXOMI-WUXMJOGZSA-N 0 0 386.267 3.911 40 0 GHABRN Cc1cc(Cl)ccc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000040640140 132405788 /nfs/dbraw/zinc/40/57/88/132405788.db2.gz GNXGXVRDNNTWLZ-UHFFFAOYSA-N 0 0 378.881 3.831 40 0 GHABRN COc1ccc(-c2nnc(SCC(=O)N3CCCc4ccccc43)n2C)cc1 ZINC000000880972 136193037 /nfs/dbraw/zinc/19/30/37/136193037.db2.gz RSMSNLMACGCWEP-UHFFFAOYSA-N 0 0 394.500 3.562 40 0 GHABRN Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc(N4CCC[C@H](O)C4)cc3)cc12 ZINC000013563061 136201285 /nfs/dbraw/zinc/20/12/85/136201285.db2.gz LRRYKQISDRHQSB-FQEVSTJZSA-N 0 0 377.488 3.718 40 0 GHABRN CCC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 ZINC000019499735 136202375 /nfs/dbraw/zinc/20/23/75/136202375.db2.gz SIEPYYDQWWNDHM-IBGZPJMESA-N 0 0 396.564 3.791 40 0 GHABRN Cc1ccc(N2CCC(C(=O)N(C)Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000219866404 136204315 /nfs/dbraw/zinc/20/43/15/136204315.db2.gz OOGNEKNURIXDIK-UHFFFAOYSA-N 0 0 390.487 3.920 40 0 GHABRN O=C(c1cnc(-c2ccc(F)cc2)nc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000222616913 136204927 /nfs/dbraw/zinc/20/49/27/136204927.db2.gz VTBMPNALSZHNKP-UHFFFAOYSA-N 0 0 396.853 3.899 40 0 GHABRN O=C(NCc1ccccc1)[C@@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2O1 ZINC000222946344 136205205 /nfs/dbraw/zinc/20/52/05/136205205.db2.gz IZOSAJWIZJMOTG-NRFANRHFSA-N 0 0 390.414 3.550 40 0 GHABRN COc1ccc(Cl)cc1C(=O)NC(=S)Nc1c2nsnc2ccc1C ZINC000408572160 533837476 /nfs/dbraw/zinc/83/74/76/533837476.db2.gz HDKXBYSYXSUEKA-UHFFFAOYSA-N 0 0 392.893 3.789 40 0 GHABRN COC(=O)c1cc(NC(=O)CSc2ccccc2NC(C)=O)ccc1Cl ZINC000409182900 533863809 /nfs/dbraw/zinc/86/38/09/533863809.db2.gz PUKVCDKFQBMKAJ-UHFFFAOYSA-N 0 0 392.864 3.816 40 0 GHABRN C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1Cl ZINC000408551752 533968290 /nfs/dbraw/zinc/96/82/90/533968290.db2.gz IOCWGKQOSYDERM-ZDUSSCGKSA-N 0 0 388.876 3.799 40 0 GHABRN COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 ZINC000103718355 534149292 /nfs/dbraw/zinc/14/92/92/534149292.db2.gz GJYBCBFKESOKIT-LLVKDONJSA-N 0 0 379.243 3.994 40 0 GHABRN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCC3)cc2)cc1 ZINC000408594462 534188832 /nfs/dbraw/zinc/18/88/32/534188832.db2.gz SFRRCZJBXXWSDT-UHFFFAOYSA-N 0 0 389.477 3.514 40 0 GHABRN Cc1ccc(-c2nnc(CN(C)C(=O)c3occc3Br)o2)cc1 ZINC000408714006 534223206 /nfs/dbraw/zinc/22/32/06/534223206.db2.gz GIJRPATXXRNECS-UHFFFAOYSA-N 0 0 376.210 3.673 40 0 GHABRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000020143227 523134607 /nfs/dbraw/zinc/13/46/07/523134607.db2.gz UCJYXCSPKVTTHB-UHFFFAOYSA-N 0 0 383.400 3.717 40 0 GHABRN O=C(Nc1ccc2c(c1)CCC2)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000103715727 534840277 /nfs/dbraw/zinc/84/02/77/534840277.db2.gz FNTYQOCNFGEYGT-HNNXBMFYSA-N 0 0 399.288 3.929 40 0 GHABRN CCOc1cc(C(=S)N2CCN(C)CC2)ccc1OCc1ccc(F)cc1 ZINC000408571684 528239762 /nfs/dbraw/zinc/23/97/62/528239762.db2.gz CKKRJROIVMURNA-UHFFFAOYSA-N 0 0 388.508 3.726 40 0 GHABRN CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(OC)c2)cc1 ZINC000409118976 528358798 /nfs/dbraw/zinc/35/87/98/528358798.db2.gz QTRRTPFESWOZHU-UHFFFAOYSA-N 0 0 398.488 3.714 40 0 GHABRN CCC(C)(C)C1CCC(NC(=O)C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000408709711 528489282 /nfs/dbraw/zinc/48/92/82/528489282.db2.gz FYTKQYQGAIJHGY-UHFFFAOYSA-N 0 0 383.536 3.938 40 0 GHABRN CCCNS(=O)(=O)c1ccc(CCC(=O)NC2CCCCCCC2)cc1 ZINC000408584552 528532115 /nfs/dbraw/zinc/53/21/15/528532115.db2.gz RGRRFOOMUYYLTN-UHFFFAOYSA-N 0 0 380.554 3.537 40 0 GHABRN CCCOC(=O)c1cc(NC(=O)CSc2nnc(C)s2)ccc1Cl ZINC000408599946 528579209 /nfs/dbraw/zinc/57/92/09/528579209.db2.gz PFXSRWDHPQHWFX-UHFFFAOYSA-N 0 0 385.898 3.798 40 0 GHABRN CCOc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1NC(=O)CC ZINC000408697716 528582486 /nfs/dbraw/zinc/58/24/86/528582486.db2.gz LITCUFYSFJAMCX-UHFFFAOYSA-N 0 0 396.896 3.566 40 0 GHABRN CCOc1ccc(S(=O)(=O)N[C@H](C)CC)cc1NC(=O)c1ccccc1F ZINC000408557770 528586359 /nfs/dbraw/zinc/58/63/59/528586359.db2.gz NXJKHTISWUTOEX-CYBMUJFWSA-N 0 0 394.468 3.554 40 0 GHABRN CCCCOc1ccc(NC(=O)C(=O)NCc2ccccc2OC(C)C)cc1 ZINC000408707736 528679591 /nfs/dbraw/zinc/67/95/91/528679591.db2.gz DCVXYWIFSFIPIF-UHFFFAOYSA-N 0 0 384.476 3.908 40 0 GHABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C ZINC000408706070 529159428 /nfs/dbraw/zinc/15/94/28/529159428.db2.gz UQLPFAQQDFPTFM-FQEVSTJZSA-N 0 0 384.476 3.877 40 0 GHABRN CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000007068980 529257295 /nfs/dbraw/zinc/25/72/95/529257295.db2.gz RKEUALAFVWXFAW-UHFFFAOYSA-N 0 0 390.530 3.835 40 0 GHABRN COc1ccc2cc(CNc3ccc(N4CCOCC4)c(Cl)c3)c(=O)[nH]c2c1 ZINC000013564842 537035284 /nfs/dbraw/zinc/03/52/84/537035284.db2.gz GCAUIVLFGNSASF-UHFFFAOYSA-N 0 0 399.878 3.639 40 0 GHABRN C[C@@]1(O)CCN(Cc2ccccc2Cl)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289870 560031226 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O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccco3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000101997226 570264438 /nfs/dbraw/zinc/26/44/38/570264438.db2.gz ZFLJYOAQDAVHEY-FHWLQOOXSA-N 0 0 394.814 3.984 40 0 GHABRN C[C@@H](OC(=O)/C=C/c1ccc(Br)o1)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000006066240 570276207 /nfs/dbraw/zinc/27/62/07/570276207.db2.gz FPNMRCDCKBEDQR-XMZVZTNKSA-N 0 0 384.270 3.682 40 0 GHABRN COc1ccccc1Oc1ccc(CNC(=O)N2C[C@@H](C)[C@@](C)(CO)C2)cc1 ZINC000664072629 570281094 /nfs/dbraw/zinc/28/10/94/570281094.db2.gz RTTIEGXLWOQGIB-OPAMFIHVSA-N 0 0 384.476 3.647 40 0 GHABRN O=C(COc1ccc(F)cc1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000022020806 570302139 /nfs/dbraw/zinc/30/21/39/570302139.db2.gz XLMMIZWAFIMQGO-UHFFFAOYSA-N 0 0 378.403 3.773 40 0 GHABRN Cc1cc(-n2nc3cc(N)c(Cl)cc3n2)cc(C)c1I ZINC000575415024 570305846 /nfs/dbraw/zinc/30/58/46/570305846.db2.gz JMHDBQBDDISXAI-UHFFFAOYSA-N 0 0 398.635 3.878 40 0 GHABRN CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@@H]1CCCc3ccccc31)cn2C ZINC000022237436 570309447 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GHABRN CCOc1cccc(NC(=O)[C@H](CC)N(c2ccc(C)cc2)S(C)(=O)=O)c1 ZINC000113950114 570335717 /nfs/dbraw/zinc/33/57/17/570335717.db2.gz AIOCEPLKRCWEOT-IBGZPJMESA-N 0 0 390.505 3.577 40 0 GHABRN CC[C@H](C(=O)Nc1ccccc1SC)N(c1ccccc1F)S(C)(=O)=O ZINC000113966914 570337625 /nfs/dbraw/zinc/33/76/25/570337625.db2.gz MQNLOAOBDGNQPU-OAHLLOKOSA-N 0 0 396.509 3.731 40 0 GHABRN CCN1CCN(C(=S)c2ccc(OCc3ccc(F)cc3)c(OC)c2)CC1 ZINC000408577196 570343061 /nfs/dbraw/zinc/34/30/61/570343061.db2.gz RUWDLZMBMHLKGE-UHFFFAOYSA-N 0 0 388.508 3.726 40 0 GHABRN CCOc1ccc(CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000022456583 570347038 /nfs/dbraw/zinc/34/70/38/570347038.db2.gz CJJVXNOYKGNHAB-UHFFFAOYSA-N 0 0 384.295 3.669 40 0 GHABRN COc1ccccc1N1CCN(C(=O)COc2cc(C)ccc2C(C)C)CC1 ZINC000003480295 570347567 /nfs/dbraw/zinc/34/75/67/570347567.db2.gz XESXPKYAGCXDCQ-UHFFFAOYSA-N 0 0 382.504 3.855 40 0 GHABRN Cc1ccc([C@@H](C)NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c(C)c1 ZINC000219171476 570349014 /nfs/dbraw/zinc/34/90/14/570349014.db2.gz 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ZINC000408601916 528560899 /nfs/dbraw/zinc/56/08/99/528560899.db2.gz MDCIYIIXAMIUBB-FOWTUZBSSA-N 0 0 377.462 3.855 40 0 GHABRN CCOc1ccc(S(=O)(=O)Nc2ccc(CC)cc2)cc1NC(=O)CC ZINC000408697701 528587528 /nfs/dbraw/zinc/58/75/28/528587528.db2.gz LEZCLVREFQAPJV-UHFFFAOYSA-N 0 0 376.478 3.797 40 0 GHABRN CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1c(C)n(C)c2ccccc21 ZINC000408812971 528617064 /nfs/dbraw/zinc/61/70/64/528617064.db2.gz CHYDEAOKMMDIDJ-UHFFFAOYSA-N 0 0 396.487 3.848 40 0 GHABRN CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000008810170 529181160 /nfs/dbraw/zinc/18/11/60/529181160.db2.gz HOVCPUGLARBWSV-NSHDSACASA-N 0 0 384.860 3.808 40 0 GHABRN CC[C@](Br)([C@H](O)c1ccc(Cl)cc1Cl)S(C)(=O)=O ZINC000096521559 570754910 /nfs/dbraw/zinc/75/49/10/570754910.db2.gz CSDPTVHMQWBXNY-GHMZBOCLSA-N 0 0 376.099 3.573 40 0 GHABRN CCNC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccncc3)o2)C[C@H]1C(C)C ZINC000035442798 560079545 /nfs/dbraw/zinc/07/95/45/560079545.db2.gz TYHRGLORVVDQJY-FHWLQOOXSA-N 0 0 397.523 3.848 40 0 biogenic,in-vitro GHABRN C/C=C(/C)C(=O)OC(C)(C)[C@H](O)COc1c2occc2cc2ccc(=O)oc21 ZINC000015273423 560230093 /nfs/dbraw/zinc/23/00/93/560230093.db2.gz QPQHCRKTYXPSQG-HYMFSAHRSA-N 0 0 386.400 3.567 40 0 biogenic,in-vitro GHABRN CC[C@@H](C)Nc1nc(Nc2ccc(C(=O)OC)cc2)cc(-c2cccnc2)n1 ZINC000329009660 570211700 /nfs/dbraw/zinc/21/17/00/570211700.db2.gz LWIMDICMSRZLPK-CQSZACIVSA-N 0 0 377.448 3.701 40 0 GHABRN COc1cccc(Nc2cc(-c3ccccc3)nc(N[C@@H](CO)C(C)C)n2)c1 ZINC000329038679 570214130 /nfs/dbraw/zinc/21/41/30/570214130.db2.gz RUKQQDGPXJOFFR-FQEVSTJZSA-N 0 0 378.476 3.747 40 0 GHABRN CCOP(=O)(CNC(=O)CC(=O)Oc1ccc(Cl)cc1Cl)OCC ZINC000005474647 570255617 /nfs/dbraw/zinc/25/56/17/570255617.db2.gz KVTGWYLBQDKNTQ-UHFFFAOYSA-N 0 0 398.179 3.629 40 0 GHABRN CC(C)(C)C(=O)N1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585289089 570257240 /nfs/dbraw/zinc/25/72/40/570257240.db2.gz DHQVKBZQUUPHGC-LBPRGKRZSA-N 0 0 382.386 3.903 40 0 GHABRN O=C(C=Cc1c[nH]cn1)N1CCC(c2csc(Nc3ccc(F)cn3)n2)CC1 ZINC000585290327 570258096 /nfs/dbraw/zinc/25/80/96/570258096.db2.gz AIVONUMVBAMDIA-DUXPYHPUSA-N 0 0 398.467 3.563 40 0 GHABRN Cc1ccc(-n2c(O)c3c(-c4ccco4)nn(-c4ccccc4)c3c2O)cc1C ZINC000101460699 570283494 /nfs/dbraw/zinc/28/34/94/570283494.db2.gz DUAZFZNBTWKWRO-TZIWHRDSSA-N 0 0 385.423 3.679 40 0 GHABRN Cc1ccc([C@@H](C)NC(=O)COc2ccc(I)cc2)cc1 ZINC000105845373 570305812 /nfs/dbraw/zinc/30/58/12/570305812.db2.gz IXPBPVDPDQSTLE-CYBMUJFWSA-N 0 0 395.240 3.856 40 0 GHABRN Cc1nnc2sc(-c3ccccc3NC(=O)Cc3ccc(Cl)cc3)nn12 ZINC000021595611 570306943 /nfs/dbraw/zinc/30/69/43/570306943.db2.gz OVDKSNTWIILJBV-UHFFFAOYSA-N 0 0 383.864 3.996 40 0 GHABRN CN(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 ZINC000072214422 570314518 /nfs/dbraw/zinc/31/45/18/570314518.db2.gz VTKKZYKRGZBBRB-UHFFFAOYSA-N 0 0 393.484 3.941 40 0 GHABRN Cc1cc(C)c(N(CC(=O)Nc2cccc(Cl)c2)S(C)(=O)=O)c(C)c1 ZINC000022380201 570314913 /nfs/dbraw/zinc/31/49/13/570314913.db2.gz JGEPQFSNGSHMPY-UHFFFAOYSA-N 0 0 380.897 3.670 40 0 GHABRN Cc1cc([C@H]2CCCN2C(=O)OCc2ccccc2)cnc1N1CCOCC1 ZINC000072219336 570318054 /nfs/dbraw/zinc/31/80/54/570318054.db2.gz JJNYMPGYVPFHTF-HXUWFJFHSA-N 0 0 381.476 3.700 40 0 GHABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000022525558 570320105 /nfs/dbraw/zinc/32/01/05/570320105.db2.gz KOLQEEGBRLTPKJ-UHFFFAOYSA-N 0 0 392.786 3.983 40 0 GHABRN Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000007477741 570334947 /nfs/dbraw/zinc/33/49/47/570334947.db2.gz KJOHSEZUARUWRS-UCLAIMLFSA-N 0 0 383.492 3.729 40 0 GHABRN COCCCNC(=O)c1ccccc1NC(=O)[C@H](C)SCc1ccccc1 ZINC000408573372 570340717 /nfs/dbraw/zinc/34/07/17/570340717.db2.gz CYOZJPJQXZZAEH-INIZCTEOSA-N 0 0 386.517 3.713 40 0 GHABRN CC[C@@H](NC(=O)COc1cccc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000218915953 570343525 /nfs/dbraw/zinc/34/35/25/570343525.db2.gz PHTVSMJRPKOTIY-HXUWFJFHSA-N 0 0 397.496 3.890 40 0 GHABRN COc1cc(CNC(=O)[C@H](C)Oc2cccc3ccccc32)cc(OC)c1OC ZINC000219043240 570346672 /nfs/dbraw/zinc/34/66/72/570346672.db2.gz ZPGZMJGYLGDNJL-HNNXBMFYSA-N 0 0 395.455 3.949 40 0 GHABRN COc1cc(CNC(=O)c2ccc(N3CCCC3=O)cc2)ccc1OC(C)C ZINC000219200848 570349314 /nfs/dbraw/zinc/34/93/14/570349314.db2.gz LEKAEMYDLSBREP-UHFFFAOYSA-N 0 0 382.460 3.539 40 0 GHABRN COc1cccc(CN(CCc2ccc(OC)c(OC)c2)C(=O)C(F)(F)F)c1 ZINC000003847225 570351837 /nfs/dbraw/zinc/35/18/37/570351837.db2.gz CCEINFRTMLODBU-UHFFFAOYSA-N 0 0 397.393 3.846 40 0 GHABRN CCc1ccccc1O[C@@H](C)C(=O)N[C@@H](CC)c1ccc(S(C)(=O)=O)cc1 ZINC000219296103 570351856 /nfs/dbraw/zinc/35/18/56/570351856.db2.gz RQYCLECACXBWBH-KXBFYZLASA-N 0 0 389.517 3.687 40 0 GHABRN CC[C@H](Oc1cccc(C)c1)C(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 ZINC000219319557 570354538 /nfs/dbraw/zinc/35/45/38/570354538.db2.gz HEEHMSRVRBKWIW-IBGZPJMESA-N 0 0 395.459 3.870 40 0 GHABRN Cc1cccc(N([C@@H](C)C(=O)N[C@H](C)c2ccc(C)c(C)c2)S(C)(=O)=O)c1 ZINC000260593229 570359299 /nfs/dbraw/zinc/35/92/99/570359299.db2.gz ZLJCXEDONXABKO-MSOLQXFVSA-N 0 0 388.533 3.644 40 0 GHABRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccccc1OC ZINC000219503529 570364586 /nfs/dbraw/zinc/36/45/86/570364586.db2.gz MRUMJXLFQXCZSM-PBHICJAKSA-N 0 0 385.460 3.890 40 0 GHABRN CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000219520654 570365559 /nfs/dbraw/zinc/36/55/59/570365559.db2.gz AEJUKWYDQLAGJT-OXJNMPFZSA-N 0 0 389.517 3.742 40 0 GHABRN Cc1oc2c(c1C(=O)n1nc(N)c3c1nc(C)cc3C(F)(F)F)CCCC2 ZINC000057731459 570371595 /nfs/dbraw/zinc/37/15/95/570371595.db2.gz NVFHODWGCJHKOA-UHFFFAOYSA-N 0 0 378.354 3.809 40 0 GHABRN Cc1ccc(C)c([C@@H](C)NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c1 ZINC000219720655 570374245 /nfs/dbraw/zinc/37/42/45/570374245.db2.gz ZUCJWUACUBLVMB-GOSISDBHSA-N 0 0 388.533 3.582 40 0 GHABRN O=C(CSCc1ccccc1Br)NCc1ccc2c(c1)OCO2 ZINC000058165042 570377502 /nfs/dbraw/zinc/37/75/02/570377502.db2.gz PYPIJHGSZPMNDV-UHFFFAOYSA-N 0 0 394.290 3.727 40 0 GHABRN COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(C)c(C)c2)c(F)c1F ZINC000408627177 570379385 /nfs/dbraw/zinc/37/93/85/570379385.db2.gz LAEUKVAMXPVEAP-UHFFFAOYSA-N 0 0 386.370 3.995 40 0 GHABRN Cc1c(Cl)cccc1NC(=O)[C@H](C)N(c1ccccc1F)S(C)(=O)=O ZINC000220300120 570384516 /nfs/dbraw/zinc/38/45/16/570384516.db2.gz ZROTWQPMMGZGQA-LBPRGKRZSA-N 0 0 384.860 3.581 40 0 GHABRN CCOc1ccc(NC(=O)[C@H](CC)N(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000220496213 570387470 /nfs/dbraw/zinc/38/74/70/570387470.db2.gz OZQZHXAVOROQJL-IBGZPJMESA-N 0 0 390.505 3.577 40 0 GHABRN CC[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220522017 570387770 /nfs/dbraw/zinc/38/77/70/570387770.db2.gz XOXZHNJQGQVESH-BEFAXECRSA-N 0 0 392.496 3.556 40 0 GHABRN Cc1ccc(C2=N/C(=C\c3ccccc3I)C(=O)N2)cc1 ZINC000004653892 570389758 /nfs/dbraw/zinc/38/97/58/570389758.db2.gz ROKWKYSGRHBHNB-GDNBJRDFSA-N 0 0 388.208 3.517 40 0 GHABRN CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl ZINC000222534959 570413671 /nfs/dbraw/zinc/41/36/71/570413671.db2.gz GKDZVSORHNBLPL-LBPRGKRZSA-N 0 0 397.277 3.838 40 0 GHABRN O=C(Nn1c(=O)c2ccccc2nc1Cc1cccs1)c1ccc(F)c(F)c1 ZINC000004891235 570415724 /nfs/dbraw/zinc/41/57/24/570415724.db2.gz ISKKOLCOVRCFQR-UHFFFAOYSA-N 0 0 397.406 3.711 40 0 GHABRN CC[C@@H](NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1)c1ccc(OC)c(C)c1 ZINC000222596971 570416071 /nfs/dbraw/zinc/41/60/71/570416071.db2.gz LXZDOIPFCLLAPR-QGZVFWFLSA-N 0 0 390.505 3.565 40 0 GHABRN CCc1ccc(N(CCCC(=O)N[C@@H](C)c2ccccc2)S(C)(=O)=O)cc1 ZINC000222638482 570417899 /nfs/dbraw/zinc/41/78/99/570417899.db2.gz ZIGKWUZBTOXLHD-KRWDZBQOSA-N 0 0 388.533 3.673 40 0 GHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1 ZINC000222683245 570420783 /nfs/dbraw/zinc/42/07/83/570420783.db2.gz QZIZRCZFSWNESZ-ZDUSSCGKSA-N 0 0 395.286 3.536 40 0 GHABRN Cc1noc(C)c1S(=O)(=O)NCCSCc1ccc(Cl)c(Cl)c1 ZINC000222719741 570422224 /nfs/dbraw/zinc/42/22/24/570422224.db2.gz XEHXPWCIHLNWRD-UHFFFAOYSA-N 0 0 395.333 3.810 40 0 GHABRN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(OC)c2)cc1 ZINC000007360661 570423288 /nfs/dbraw/zinc/42/32/88/570423288.db2.gz KKGKBCKMASMXDD-UHFFFAOYSA-N 0 0 381.425 3.592 40 0 GHABRN C[C@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000222761167 570424514 /nfs/dbraw/zinc/42/45/14/570424514.db2.gz GOTVHQXTERCLNT-HXUWFJFHSA-N 0 0 386.495 3.963 40 0 GHABRN C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 ZINC000222761111 570424521 /nfs/dbraw/zinc/42/45/21/570424521.db2.gz GOTVHQXTERCLNT-FQEVSTJZSA-N 0 0 386.495 3.963 40 0 GHABRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)n1-c1cccnc1 ZINC000222822472 570427727 /nfs/dbraw/zinc/42/77/27/570427727.db2.gz YOEBAWCLRCLMNT-PMACEKPBSA-N 0 0 377.517 3.957 40 0 GHABRN CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 ZINC000222853408 570428956 /nfs/dbraw/zinc/42/89/56/570428956.db2.gz UATKZIOIOOJBPJ-JOCHJYFZSA-N 0 0 396.531 3.960 40 0 GHABRN CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 ZINC000222908141 570430843 /nfs/dbraw/zinc/43/08/43/570430843.db2.gz WAXXJZNFYHJTKD-SFHVURJKSA-N 0 0 384.545 3.516 40 0 GHABRN CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1Cc1cccnc1 ZINC000222912240 570431132 /nfs/dbraw/zinc/43/11/32/570431132.db2.gz VGZLIOLXGZFGFN-SFTDATJTSA-N 0 0 391.544 3.955 40 0 GHABRN CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NCCCOC ZINC000222960226 570433468 /nfs/dbraw/zinc/43/34/68/570433468.db2.gz ZIRODLWIINKVHL-FQEVSTJZSA-N 0 0 398.503 3.866 40 0 GHABRN CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1cccc(C)c1 ZINC000222992235 570435408 /nfs/dbraw/zinc/43/54/08/570435408.db2.gz IKMVNDWSAJWJNF-IBGZPJMESA-N 0 0 382.504 3.707 40 0 GHABRN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C)c1 ZINC000223000662 570436388 /nfs/dbraw/zinc/43/63/88/570436388.db2.gz IIMSGVMLRAAXCP-NHCUHLMSSA-N 0 0 392.528 3.800 40 0 GHABRN CCOC(=O)C=C(CC(=O)OCC)Nc1ccc(C(=O)c2ccccc2)cc1 ZINC000005422469 570438943 /nfs/dbraw/zinc/43/89/43/570438943.db2.gz XGYOFTXYKXQMKF-XMHGGMMESA-N 0 0 381.428 3.730 40 0 GHABRN CCOc1ccc(NC(=O)c2ccc(C)c(N3CCCCS3(=O)=O)c2)cc1 ZINC000005439550 570439273 /nfs/dbraw/zinc/43/92/73/570439273.db2.gz UZHFRHICIGUGRS-UHFFFAOYSA-N 0 0 388.489 3.576 40 0 GHABRN COc1ccc([C@@H](C)NC(=O)c2cn3c4c(cccc4c2=O)C[C@@H]3C)cc1OC ZINC000223097518 570443241 /nfs/dbraw/zinc/44/32/41/570443241.db2.gz AOZAOCPSZLSQAA-UONOGXRCSA-N 0 0 392.455 3.627 40 0 GHABRN CCN1C(=O)C(=Cc2cn(CCOc3ccccc3)c3ccccc23)NC1=S ZINC000039556512 570445126 /nfs/dbraw/zinc/44/51/26/570445126.db2.gz WIAOOCBGHWYPRF-RGEXLXHISA-N 0 0 391.496 3.798 40 0 GHABRN COc1ccc(CC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1C ZINC000223257171 570453777 /nfs/dbraw/zinc/45/37/77/570453777.db2.gz DYBGIRLAAHLCFU-UHFFFAOYSA-N 0 0 385.851 3.908 40 0 GHABRN O=C(CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1)N1CCCC1 ZINC000035289517 570454606 /nfs/dbraw/zinc/45/46/06/570454606.db2.gz NCESTMGIKKFIFR-UHFFFAOYSA-N 0 0 399.907 3.697 40 0 GHABRN CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1 ZINC000223282223 570455684 /nfs/dbraw/zinc/45/56/84/570455684.db2.gz NSWODPMYZBRAFI-MRXNPFEDSA-N 0 0 388.458 3.841 40 0 GHABRN O=C1N/C(=C\c2ccc3c(c2)OCO3)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 ZINC000005770765 570455880 /nfs/dbraw/zinc/45/58/80/570455880.db2.gz HPANEIZYUUNXGR-LSCVHKIXSA-N 0 0 394.471 3.915 40 0 GHABRN CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 ZINC000223288989 570456244 /nfs/dbraw/zinc/45/62/44/570456244.db2.gz GTCXTUHEOJJBJB-JXMROGBWSA-N 0 0 385.272 3.553 40 0 GHABRN COc1ccccc1CNc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000242820235 570456808 /nfs/dbraw/zinc/45/68/08/570456808.db2.gz FKJZOFGNQWRTBZ-UHFFFAOYSA-N 0 0 377.492 3.738 40 0 GHABRN O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccccc1F ZINC000005969180 570463431 /nfs/dbraw/zinc/46/34/31/570463431.db2.gz PNIKYLNDBVZXNZ-UHFFFAOYSA-N 0 0 392.386 3.874 40 0 GHABRN COCCN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O ZINC000008104340 570463502 /nfs/dbraw/zinc/46/35/02/570463502.db2.gz JTPCMRWQVHATFD-WZUFQYTHSA-N 0 0 377.205 3.584 40 0 GHABRN COC(=O)c1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000223416133 570465297 /nfs/dbraw/zinc/46/52/97/570465297.db2.gz XOEGETIZXPPUDB-UHFFFAOYSA-N 0 0 394.880 3.528 40 0 GHABRN 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O=C(C1CCOCC1)N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000072362890 222241031 /nfs/dbraw/zinc/24/10/31/222241031.db2.gz GUUSHIHLOAFDES-INIZCTEOSA-N 0 0 385.439 3.541 40 0 GHABRN Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCCN2C(=O)c2ccc(N)nc2)n1 ZINC000072372648 222242127 /nfs/dbraw/zinc/24/21/27/222242127.db2.gz CAOWEEKJBLPFKG-SFHVURJKSA-N 0 0 392.438 3.622 40 0 GHABRN O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Nc2ccccn2)n1 ZINC000072375202 222242309 /nfs/dbraw/zinc/24/23/09/222242309.db2.gz HQEKILZUTRUESA-GOSISDBHSA-N 0 0 398.463 3.885 40 0 GHABRN CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)c3ccccn3)n2)s1 ZINC000072375218 222242600 /nfs/dbraw/zinc/24/26/00/222242600.db2.gz AILRJZROVYWZCA-OAHLLOKOSA-N 0 0 380.477 3.611 40 0 GHABRN CC(C)c1nccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2ccc(F)cc2)n1 ZINC000072378480 222243764 /nfs/dbraw/zinc/24/37/64/222243764.db2.gz BMQHUXCXQGLIEN-IBGZPJMESA-N 0 0 393.466 3.831 40 0 GHABRN CC(C)c1nccn1-c1cncc([C@H]2CCCN2C(=O)c2ccc(F)cc2)n1 ZINC000072378394 222245218 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C[C@H]1CCc2onc(C(=O)N[C@@H]3CCCc4c3cnn4Cc3ccccc3)c2C1 ZINC000072396293 222252450 /nfs/dbraw/zinc/25/24/50/222252450.db2.gz YZFDQOZLZNIYKS-HNAYVOBHSA-N 0 0 390.487 3.852 40 0 GHABRN COc1cc(C2(c3ccc(O)c(OC)c3)OC(=O)c3ccccc32)ccc1O ZINC000095630058 222358878 /nfs/dbraw/zinc/35/88/78/222358878.db2.gz YRQCMVRFUNWZQK-UHFFFAOYSA-N 0 0 378.380 3.577 40 0 GHABRN Cc1ccccc1C(=O)N1C[C@H](C(=O)Nc2ccccc2)C2(C1)CCOCC2 ZINC000096078690 222376308 /nfs/dbraw/zinc/37/63/08/222376308.db2.gz BVOJSHXKHDNSTA-HXUWFJFHSA-N 0 0 378.472 3.503 40 0 GHABRN Cc1ccc(C(=O)N2C[C@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)cc1 ZINC000096078676 222376504 /nfs/dbraw/zinc/37/65/04/222376504.db2.gz NNEYCRYXZCPVAH-HXUWFJFHSA-N 0 0 378.472 3.503 40 0 GHABRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3cccn3C)CC2)c2ccccc21 ZINC000096079444 222377443 /nfs/dbraw/zinc/37/74/43/222377443.db2.gz BKNHMUJSHAWXJE-SFHVURJKSA-N 0 0 393.531 3.601 40 0 GHABRN CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)c3cccnc3)CC2)c2ccccc21 ZINC000096241950 222402826 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COc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)c3scnc3C)C2)c1 ZINC000072359035 222239270 /nfs/dbraw/zinc/23/92/70/222239270.db2.gz IRPFRVBNPFBXCW-INIZCTEOSA-N 0 0 394.500 3.937 40 0 GHABRN COc1cccc(Oc2cncc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)c1 ZINC000072362091 222240602 /nfs/dbraw/zinc/24/06/02/222240602.db2.gz IUXSUWVBAGBWAY-KRWDZBQOSA-N 0 0 390.443 3.692 40 0 GHABRN CCc1cc(C(=O)N2CCC[C@@H](c3cncc(Oc4cccc(F)c4)n3)C2)on1 ZINC000072362966 222240885 /nfs/dbraw/zinc/24/08/85/222240885.db2.gz MJIZNGLETQAREI-CQSZACIVSA-N 0 0 396.422 3.978 40 0 GHABRN O=C(c1n[nH]c2c1CCC2)N1CCC(c2nccnc2Oc2ccccc2)CC1 ZINC000072362659 222241510 /nfs/dbraw/zinc/24/15/10/222241510.db2.gz VHKSGQYQJBHHQM-UHFFFAOYSA-N 0 0 389.459 3.501 40 0 GHABRN O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2cccc(-n3ccnc3)n2)C1 ZINC000072378821 222244638 /nfs/dbraw/zinc/24/46/38/222244638.db2.gz ZFHSPNNVBFXXPA-SFHVURJKSA-N 0 0 378.451 3.745 40 0 GHABRN CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000072383452 222246537 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CCC(=O)N[C@@H]1CCc2ccc(OC)cc2[C@H]1OC(=O)[C@H](OC)c1ccccc1 ZINC000077302247 222277585 /nfs/dbraw/zinc/27/75/85/222277585.db2.gz UDKLJDIBERKFNQ-CEMLEFRQSA-N 0 0 397.471 3.508 40 0 in-vitro GHABRN Cc1ccccc1C(=O)N1C[C@@H](C(=O)Nc2ccccc2)C2(C1)CCOCC2 ZINC000096078691 222376672 /nfs/dbraw/zinc/37/66/72/222376672.db2.gz BVOJSHXKHDNSTA-FQEVSTJZSA-N 0 0 378.472 3.503 40 0 GHABRN Cn1c(CO[C@H]2CN(Cc3cnc4ccccc4c3)C[C@H]2F)nc2ccccc21 ZINC000096112203 222381286 /nfs/dbraw/zinc/38/12/86/222381286.db2.gz BMGQPDPFIMJYPD-GCJKJVERSA-N 0 0 390.462 3.861 40 0 biogenic,in-vitro GHABRN Cc1ccccc1C(=O)N1C[C@@H](C(=O)Nc2cccc(F)c2)C2(C1)CCOCC2 ZINC000096241085 222403041 /nfs/dbraw/zinc/40/30/41/222403041.db2.gz SQBOMRONDXYDQF-FQEVSTJZSA-N 0 0 396.462 3.642 40 0 GHABRN Cc1ccc(C)c(N(Cc2ccc(C(=O)NCC(C)C)cc2)S(C)(=O)=O)c1 ZINC000113966203 222522024 /nfs/dbraw/zinc/52/20/24/222522024.db2.gz PJLSGMAMFIXUJK-UHFFFAOYSA-N 0 0 388.533 3.655 40 0 GHABRN CC[C@@H](NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O)c1ccccc1 ZINC000113966152 222522274 /nfs/dbraw/zinc/52/22/74/222522274.db2.gz FEAVHYQUXAITMU-GOSISDBHSA-N 0 0 392.496 3.639 40 0 GHABRN COc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccccc2OC)cc1 ZINC000408841741 533994185 /nfs/dbraw/zinc/99/41/85/533994185.db2.gz KMHXJTSETMVUJP-HMMYKYKNSA-N 0 0 385.423 3.933 40 0 GHABRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C)s3)C2=O)cc1 ZINC000409170137 534076401 /nfs/dbraw/zinc/07/64/01/534076401.db2.gz TYINTYSMUFXNRV-OQLLNIDSSA-N 0 0 388.470 3.740 40 0 GHABRN Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C(N)=O)cc2)cc1 ZINC000408675624 534184604 /nfs/dbraw/zinc/18/46/04/534184604.db2.gz JVUKMMMIFPPFOW-UHFFFAOYSA-N 0 0 397.434 3.835 40 0 GHABRN COC(=O)c1cn(S(=O)(=O)c2ccc(OC)c(C(C)C)c2)c2ccccc12 ZINC000222627949 534303680 /nfs/dbraw/zinc/30/36/80/534303680.db2.gz LKJBWBRURXIBPN-UHFFFAOYSA-N 0 0 387.457 3.797 40 0 GHABRN CCOc1cc(C=O)cc(Cl)c1OS(=O)(=O)c1ccccc1Cl ZINC000226233720 520692452 /nfs/dbraw/zinc/69/24/52/520692452.db2.gz VNFJBFBCMWLCAR-UHFFFAOYSA-N 0 0 375.229 3.972 40 0 GHABRN 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ITGCCAMBHMBCMX-LDADJPATSA-N 0 0 380.444 3.885 40 0 GHABRN CC(C)Oc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000408709168 528255628 /nfs/dbraw/zinc/25/56/28/528255628.db2.gz YICDFNKQEWLRBX-INIZCTEOSA-N 0 0 386.879 3.797 40 0 GHABRN CC(C)Oc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000115562552 528256249 /nfs/dbraw/zinc/25/62/49/528256249.db2.gz CLLLSEVGLLJLQK-INIZCTEOSA-N 0 0 386.879 3.797 40 0 GHABRN CCOc1ccc(C(=O)Nc2ccccc2CC)cc1S(=O)(=O)NC(C)C ZINC000408701389 528408717 /nfs/dbraw/zinc/40/87/17/528408717.db2.gz XFHBENGUNZHUEL-UHFFFAOYSA-N 0 0 390.505 3.587 40 0 GHABRN CCC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1OC ZINC000408699558 528424410 /nfs/dbraw/zinc/42/44/10/528424410.db2.gz XVIWYSSZOJPWLB-UHFFFAOYSA-N 0 0 382.869 3.806 40 0 GHABRN CCC(=O)Nc1cc(S(=O)(=O)Nc2cccc3ccccc32)ccc1OC ZINC000408699109 528425204 /nfs/dbraw/zinc/42/52/04/528425204.db2.gz UTMCHCRDOOXNQW-UHFFFAOYSA-N 0 0 384.457 3.998 40 0 GHABRN CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(F)cc2)c1 ZINC000408628644 528430371 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CC(C)C(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(C)(=O)=O)C[C@H]1C ZINC000014607289 535374265 /nfs/dbraw/zinc/37/42/65/535374265.db2.gz HZGNBFCYRNEQEU-OXQOHEQNSA-N 0 0 386.517 3.975 40 0 GHABRN O=C(NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1)Nc1ccccc1 ZINC000096296325 560060366 /nfs/dbraw/zinc/06/03/66/560060366.db2.gz KKVKWBKFCCSQLI-KRWDZBQOSA-N 0 0 382.851 3.924 40 0 biogenic,in-vitro GHABRN CC[C@H]1CN(C(=O)NC2CCCCC2)CC[C@H]1CC(=O)NCc1ccco1 ZINC000005415180 560201810 /nfs/dbraw/zinc/20/18/10/560201810.db2.gz LGHOQGJXSWWDLY-IRXDYDNUSA-N 0 0 375.513 3.676 40 0 biogenic,in-vitro GHABRN COc1cccc(Nc2cc(-c3ccncc3)nc(NC3CCCCC3)n2)c1 ZINC000329021783 570213409 /nfs/dbraw/zinc/21/34/09/570213409.db2.gz OJOFJBLVJJEQNH-UHFFFAOYSA-N 0 0 375.476 3.879 40 0 GHABRN Cc1cc(Nc2cc(-c3cccnc3)nc(NCCCO)n2)ccc1C(C)C ZINC000329022127 570213485 /nfs/dbraw/zinc/21/34/85/570213485.db2.gz OKWVBJGLRXELOV-UHFFFAOYSA-N 0 0 377.492 3.930 40 0 GHABRN Cn1cc(-c2cnc(-c3cccc(F)c3)nc2)cc1C(=O)NCc1ccccn1 ZINC000096147649 570214138 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LIARHXYIHDDIRA-UHFFFAOYSA-N 0 0 397.504 3.869 40 0 GHABRN C[C@@]1(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)CC(c2ccccc2)=NO1 ZINC000012192955 221165481 /nfs/dbraw/zinc/16/54/81/221165481.db2.gz AHJLOWBSKNSKIF-NRFANRHFSA-N 0 0 378.407 3.592 40 0 GHABRN CCc1c(C)noc1-c1snnc1C1CCN(Cc2cnc(CC)nc2)CC1 ZINC000012224194 221170536 /nfs/dbraw/zinc/17/05/36/221170536.db2.gz BLGFYZBZWXKOQD-UHFFFAOYSA-N 0 0 398.536 3.796 40 0 GHABRN Cc1occc1-c1nc(NCc2ccc3c(c2)OCO3)ncc1-c1cnccn1 ZINC000012252448 221173124 /nfs/dbraw/zinc/17/31/24/221173124.db2.gz HDHQMNWUQITBJA-UHFFFAOYSA-N 0 0 387.399 3.843 40 0 GHABRN CN1C[C@@H](NC(=O)Nc2cccc(F)c2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529980 221202701 /nfs/dbraw/zinc/20/27/01/221202701.db2.gz JVRYKROREWGKRZ-IRXDYDNUSA-N 0 0 399.401 3.582 40 0 biogenic,in-vitro GHABRN Cc1scc(C(=O)N2CCC[C@H](c3cc(C(F)F)n4ncnc4n3)C2)c1C ZINC000012407016 221188736 /nfs/dbraw/zinc/18/87/36/221188736.db2.gz DUOTVMHOZUZTFM-LBPRGKRZSA-N 0 0 391.447 3.760 40 0 GHABRN 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Cc1cc(NC[C@H](O)c2cccc(O)c2)n2nc(-c3cccc(F)c3)cc2n1 ZINC000019117251 221397655 /nfs/dbraw/zinc/39/76/55/221397655.db2.gz UIOJYKCTHIPXHA-IBGZPJMESA-N 0 0 378.407 3.695 40 0 GHABRN COc1ccc(C(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2C)c(OC)c1 ZINC000019239642 221404120 /nfs/dbraw/zinc/40/41/20/221404120.db2.gz ZDJBNMYYZPAZQQ-IBGZPJMESA-N 0 0 392.459 3.775 40 0 GHABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)c3ccncc3)cc2N1 ZINC000019574812 221429934 /nfs/dbraw/zinc/42/99/34/221429934.db2.gz VQAJUZOAAYSSSD-BYCMXARLSA-N 0 0 379.386 3.563 40 0 GHABRN CCc1cc(C(=O)N2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)on1 ZINC000019522736 221418705 /nfs/dbraw/zinc/41/87/05/221418705.db2.gz IAOXMRAZCCBRIJ-WDBKCZKBSA-N 0 0 397.401 3.718 40 0 GHABRN COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)C(C)(C)C)cc3)CC2)cc1 ZINC000007388350 533304951 /nfs/dbraw/zinc/30/49/51/533304951.db2.gz QJNVVMQTFUQMNO-UHFFFAOYSA-N 0 0 395.503 3.642 40 0 GHABRN CO[C@H]1O[C@@H]2CC[C@@H]3[C@@H]2[C@@H]2[C@H]4[C@H]5[C@@H]([C@H]6CC[C@H]7O[C@H](OC)[C@](C)([C@@H]5[C@H]76)[C@@H]34)[C@@]21C ZINC000104294868 533306791 /nfs/dbraw/zinc/30/67/91/533306791.db2.gz HXAAVHKBTACSRV-JNUPRVGASA-N 0 0 386.532 3.546 40 0 GHABRN COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1O ZINC000409242777 533472031 /nfs/dbraw/zinc/47/20/31/533472031.db2.gz YGRNBUKVGXARPT-NTUHNPAUSA-N 0 0 379.199 3.805 40 0 GHABRN COc1cccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=C[C@@H](C)[C@@H]4C3=O)c2)c1 ZINC000408672225 533614049 /nfs/dbraw/zinc/61/40/49/533614049.db2.gz MLYRQXWQAIJZTK-XMCHAPAWSA-N 0 0 390.439 3.649 40 0 GHABRN COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc2nc(C)ccc21 ZINC000007388843 533622289 /nfs/dbraw/zinc/62/22/89/533622289.db2.gz ODLNFSRUZICVOS-UHFFFAOYSA-N 0 0 381.457 3.687 40 0 GHABRN O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccccc1N1CCCCC1 ZINC000057698847 136153808 /nfs/dbraw/zinc/15/38/08/136153808.db2.gz GZLLBTRBYBRDNE-UHFFFAOYSA-N 0 0 396.510 3.577 40 0 GHABRN Nc1nc2c(ccc(Cl)c2N2CCN(C(=O)c3ccccc3F)CC2)s1 ZINC000072230209 136167816 /nfs/dbraw/zinc/16/78/16/136167816.db2.gz BULIRGIVPZLBDQ-UHFFFAOYSA-N 0 0 390.871 3.633 40 0 GHABRN O=C(Cc1ccccc1)Nc1ccc2c(c1)OCC(=O)N2Cc1ccccc1F ZINC000005000944 136194307 /nfs/dbraw/zinc/19/43/07/136194307.db2.gz FPDYGORWBQZCJT-UHFFFAOYSA-N 0 0 390.414 3.933 40 0 GHABRN CC[C@@H](C(=O)N1CCCc2ccccc21)N(c1cccc(C)c1)S(C)(=O)=O ZINC000220514090 136204638 /nfs/dbraw/zinc/20/46/38/136204638.db2.gz GMGOCHAYJQYZPQ-IBGZPJMESA-N 0 0 386.517 3.519 40 0 GHABRN Cc1nc(C(C)C)ncc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000222574603 136204848 /nfs/dbraw/zinc/20/48/48/136204848.db2.gz RUDWGTSPILDSRJ-UHFFFAOYSA-N 0 0 392.425 3.890 40 0 GHABRN C[C@H]1CCCCN1c1ccc(NC(=S)NCc2ccc3c(c2)OCCO3)cn1 ZINC000224050945 136206310 /nfs/dbraw/zinc/20/63/10/136206310.db2.gz OTQOKAIADUCPRP-HNNXBMFYSA-N 0 0 398.532 3.718 40 0 GHABRN Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)Nc1sc(C(C)C)cc1C(N)=O ZINC000028227592 221669383 /nfs/dbraw/zinc/66/93/83/221669383.db2.gz LYZOWESPMGNARD-SECBINFHSA-N 0 0 388.415 3.694 40 0 GHABRN CC[C@H](C(=O)N[C@H](C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000037021582 221867784 /nfs/dbraw/zinc/86/77/84/221867784.db2.gz UYZVHJQLIFLLHP-RDTXWAMCSA-N 0 0 394.924 3.762 40 0 GHABRN CCN(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000039986793 221895746 /nfs/dbraw/zinc/89/57/46/221895746.db2.gz ZLQQOYPFVVVBII-UHFFFAOYSA-N 0 0 387.288 3.643 40 0 GHABRN CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000044949773 221958606 /nfs/dbraw/zinc/95/86/06/221958606.db2.gz FBCLEWRDHMLWMX-OAQYLSRUSA-N 0 0 389.455 3.826 40 0 GHABRN Cc1ccc(OC[C@H](C)NC(=O)COc2ccc(Br)cc2)cc1 ZINC000060138724 222057417 /nfs/dbraw/zinc/05/74/17/222057417.db2.gz HODDGLPBDXVSNY-AWEZNQCLSA-N 0 0 378.266 3.720 40 0 GHABRN Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@]2(C)C[C@@]32Nc3ccccc3C(=O)N2)o1 ZINC000072326505 222228873 /nfs/dbraw/zinc/22/88/73/222228873.db2.gz FFZJWVNDKSSNQB-OZEDYNDGSA-N 0 0 393.487 3.582 40 0 GHABRN Cc1cc(-c2cnc(NCc3cccc(F)c3)nc2-c2cnc(C)cn2)on1 ZINC000072336780 222230732 /nfs/dbraw/zinc/23/07/32/222230732.db2.gz AQKYZIGPDBWXJC-UHFFFAOYSA-N 0 0 376.395 3.957 40 0 GHABRN O=C1NCCN(Cc2c[nH]c3ccccc23)[C@@H]1Cc1cccc(-c2ccncc2)c1 ZINC000072351652 222237529 /nfs/dbraw/zinc/23/75/29/222237529.db2.gz NLWQUMCPIGUZSO-XMMPIXPASA-N 0 0 396.494 3.773 40 0 GHABRN Cc1cc(C)c2c(c1)cc([C@@H]1CCCN(C(=O)CC[C@@H]3CCCO3)C1)[nH]c2=O ZINC000072350709 222238257 /nfs/dbraw/zinc/23/82/57/222238257.db2.gz RSICWTSHSWCMFC-MJGOQNOKSA-N 0 0 382.504 3.810 40 0 GHABRN CC(=O)N1CC[C@@H](c2c3ccccc3sc2C(=O)N(C)CC(F)(F)F)C1 ZINC000072352599 222238435 /nfs/dbraw/zinc/23/84/35/222238435.db2.gz LDYMBMMVTDUKLQ-GFCCVEGCSA-N 0 0 384.423 3.871 40 0 GHABRN O=C(c1ccccn1)N1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000072362249 222240694 /nfs/dbraw/zinc/24/06/94/222240694.db2.gz JJBFZEQRJYBOKF-OAHLLOKOSA-N 0 0 378.407 3.823 40 0 GHABRN CCc1ncc(CN2CCC[C@H]2c2cc(Nc3ncc(C)s3)nc(C)n2)cn1 ZINC000072360416 222240728 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Cc1cc2ncc(CN(C)C)c([C@@H]3CCCN3C(=O)c3ccc(Cl)cc3)n2n1 ZINC000072377293 222245821 /nfs/dbraw/zinc/24/58/21/222245821.db2.gz JAHBCTQBFZFYAE-SFHVURJKSA-N 0 0 397.910 3.730 40 0 GHABRN C[C@@H]1Cc2cc(CC(=O)N3CCc4onc(-c5cccc(F)c5)c4C3)ccc2O1 ZINC000072390388 222246695 /nfs/dbraw/zinc/24/66/95/222246695.db2.gz IRMCYAPYIMYZSA-CQSZACIVSA-N 0 0 392.430 3.932 40 0 GHABRN Cc1cc(Oc2ccccc2C)nc([C@@H]2CCCN2C(=O)c2cnccn2)n1 ZINC000072383779 222247309 /nfs/dbraw/zinc/24/73/09/222247309.db2.gz QYEGZYCCDYFDHK-KRWDZBQOSA-N 0 0 375.432 3.653 40 0 GHABRN Cc1cc(Oc2ccccc2C)nc([C@@H]2CCCN2C(=O)C2CCOCC2)n1 ZINC000072384279 222247400 /nfs/dbraw/zinc/24/74/00/222247400.db2.gz SJSZCPNZYJGQNM-SFHVURJKSA-N 0 0 381.476 3.976 40 0 GHABRN O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)C1=Cc2ccccc2OC1 ZINC000072396252 222250911 /nfs/dbraw/zinc/25/09/11/222250911.db2.gz GXXOFGYPFAPGNL-OAQYLSRUSA-N 0 0 385.467 3.901 40 0 GHABRN Cc1noc(C)c1CCC(=O)N1CCc2onc(Nc3ccccc3F)c2C1 ZINC000072397196 222254188 /nfs/dbraw/zinc/25/41/88/222254188.db2.gz ZLMZRSROJFCDTR-UHFFFAOYSA-N 0 0 384.411 3.680 40 0 GHABRN NC(=O)c1ccc2nc(-c3ccc(I)cc3)sc2c1 ZINC000073740446 222271549 /nfs/dbraw/zinc/27/15/49/222271549.db2.gz GXXSBIIKVFMKSK-UHFFFAOYSA-N 0 0 380.210 3.667 40 0 GHABRN Cc1ccc(C(=O)N2C[C@@H](C(=O)Nc3cccc(F)c3)C3(C2)CCOCC3)cc1 ZINC000096078661 222376603 /nfs/dbraw/zinc/37/66/03/222376603.db2.gz GTFKXLNHBAPTJZ-FQEVSTJZSA-N 0 0 396.462 3.642 40 0 GHABRN O=C(c1cc2ccccc2[nH]1)N1[C@@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 ZINC000096104155 222382217 /nfs/dbraw/zinc/38/22/17/222382217.db2.gz JQDSBBLKALSGQF-JJTKIYQPSA-N 0 0 394.496 3.777 40 0 GHABRN COc1cccc(-c2ccc3ccc(-n4ccc(C(=O)NCC5CC5)n4)n3c2)c1 ZINC000096155443 222393930 /nfs/dbraw/zinc/39/39/30/222393930.db2.gz GYXHCSZVXUCIAN-UHFFFAOYSA-N 0 0 386.455 3.940 40 0 GHABRN Clc1ccc2nc(-c3ccc4c(c3)OCO4)c(I)n2c1 ZINC000096536903 222422442 /nfs/dbraw/zinc/42/24/42/222422442.db2.gz DWKWHRSVZCLSAC-UHFFFAOYSA-N 0 0 398.587 3.988 40 0 GHABRN O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCOC[C@H](Oc2ccccc2)C1 ZINC000096269027 222405565 /nfs/dbraw/zinc/40/55/65/222405565.db2.gz MQWCAQMIMYVVEH-QGZVFWFLSA-N 0 0 396.365 3.897 40 0 biogenic,in-vitro GHABRN CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000175956605 222562403 /nfs/dbraw/zinc/56/24/03/222562403.db2.gz YQPSFKOBDRGUTN-SUMWQHHRSA-N 0 0 395.908 3.778 40 0 GHABRN COc1ccc(Cn2nnnc2[C@@H](c2cccs2)N2CCC[C@H](C)C2)cc1 ZINC000245227142 533897692 /nfs/dbraw/zinc/89/76/92/533897692.db2.gz CBHBBKLIELWRQS-HNAYVOBHSA-N 0 0 383.521 3.613 40 0 GHABRN COc1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000113955835 534063934 /nfs/dbraw/zinc/06/39/34/534063934.db2.gz VATBSNUYXGJORH-UHFFFAOYSA-N 0 0 396.896 3.534 40 0 GHABRN Cc1cc2nc3s/c(=C\c4ccc(Br)s4)c(=O)n3c2cc1C ZINC000409389173 534133650 /nfs/dbraw/zinc/13/36/50/534133650.db2.gz ANTKRWAKHXFYMN-QPEQYQDCSA-N 0 0 391.315 3.898 40 0 GHABRN Cc1ccc(NC(=O)CNC(=O)c2ccc(COc3ccc(C)cc3)o2)cc1 ZINC000408561724 534174132 /nfs/dbraw/zinc/17/41/32/534174132.db2.gz KNPCGRSOUCCAPV-UHFFFAOYSA-N 0 0 378.428 3.844 40 0 GHABRN Cc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1C(=O)NCC(C)C ZINC000408586964 534212634 /nfs/dbraw/zinc/21/26/34/534212634.db2.gz AKBHDGBRWFMIRM-UHFFFAOYSA-N 0 0 398.887 3.974 40 0 GHABRN Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1=O ZINC000408638402 534673389 /nfs/dbraw/zinc/67/33/89/534673389.db2.gz CCEHNLUFEUBQSP-GOSISDBHSA-N 0 0 394.471 3.860 40 0 GHABRN CC(=O)N1CCN(c2ccccc2NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000408628816 526636944 /nfs/dbraw/zinc/63/69/44/526636944.db2.gz BJDKRCJXLQYDTK-UHFFFAOYSA-N 0 0 395.547 3.900 40 0 GHABRN CC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccc(O)cc1)N2 ZINC000409095091 526647745 /nfs/dbraw/zinc/64/77/45/526647745.db2.gz HDSSESSODVCZIL-UVBSCNOISA-N 0 0 384.398 3.917 40 0 GHABRN CCCC(=O)NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000008053510 527920378 /nfs/dbraw/zinc/92/03/78/527920378.db2.gz JSNJBIJJJGXWJI-UHFFFAOYSA-N 0 0 381.295 4.000 40 0 GHABRN CCN(CC)C(=O)C(=O)c1cn(CCOc2ccccc2OC)c2ccccc12 ZINC000014136068 527984130 /nfs/dbraw/zinc/98/41/30/527984130.db2.gz XMJNMPJWOFKRQZ-UHFFFAOYSA-N 0 0 394.471 3.780 40 0 GHABRN CCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(F)cc3)nc2cc1C ZINC000408628780 528088427 /nfs/dbraw/zinc/08/84/27/528088427.db2.gz XLKYWQSTUHIATR-UHFFFAOYSA-N 0 0 385.468 3.871 40 0 GHABRN CC(C)Oc1ccc(CNC(=O)C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000408709118 528152582 /nfs/dbraw/zinc/15/25/82/528152582.db2.gz OSBXSAGFGPXJJK-UHFFFAOYSA-N 0 0 380.366 3.748 40 0 GHABRN CCOc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OC ZINC000409240859 528167366 /nfs/dbraw/zinc/16/73/66/528167366.db2.gz QGOURRARDFQHGW-MHWRWJLKSA-N 0 0 386.835 3.840 40 0 GHABRN CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)ccc1O[C@H](C)CC ZINC000409214435 528195655 /nfs/dbraw/zinc/19/56/55/528195655.db2.gz XVKSZFYGWLIIGF-LVLBFHFTSA-N 0 0 379.478 3.945 40 0 GHABRN CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)ccc1O[C@@H](C)CC ZINC000409214447 528195952 /nfs/dbraw/zinc/19/59/52/528195952.db2.gz XVKSZFYGWLIIGF-VLURKWGBSA-N 0 0 379.478 3.945 40 0 GHABRN CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)ccc1C ZINC000408606870 528227105 /nfs/dbraw/zinc/22/71/05/528227105.db2.gz PDHBJHGSFDAAMJ-UHFFFAOYSA-N 0 0 387.288 3.852 40 0 GHABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OCC)c(Cl)c2)cc1 ZINC000408587987 528238907 /nfs/dbraw/zinc/23/89/07/528238907.db2.gz VOTKZPIVOQIZJY-UHFFFAOYSA-N 0 0 383.853 3.716 40 0 GHABRN CC(C)Oc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000408707557 528255352 /nfs/dbraw/zinc/25/53/52/528255352.db2.gz KKPFAEUNEHMCKA-INIZCTEOSA-N 0 0 386.879 3.797 40 0 GHABRN CCOc1cc(Cl)c(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC ZINC000408903338 528288762 /nfs/dbraw/zinc/28/87/62/528288762.db2.gz RBKVWKPNGSQLCH-MFOYZWKCSA-N 0 0 386.860 3.518 40 0 GHABRN CCC(=O)Nc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1OC ZINC000408699372 528424715 /nfs/dbraw/zinc/42/47/15/528424715.db2.gz WMNLZAPDGQYDPD-UHFFFAOYSA-N 0 0 376.478 3.770 40 0 GHABRN CCOc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(F)cc2)cc1 ZINC000409101775 528513943 /nfs/dbraw/zinc/51/39/43/528513943.db2.gz RFAWBNKTBGBFRL-UHFFFAOYSA-N 0 0 386.452 3.844 40 0 GHABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccncc1)N2 ZINC000409352393 528595396 /nfs/dbraw/zinc/59/53/96/528595396.db2.gz YSDQEZCFTNNIMK-GLJUWKHASA-N 0 0 383.414 3.997 40 0 GHABRN CCCOc1cccc(C(=O)Nc2ccc(I)cn2)c1 ZINC000105867178 528735948 /nfs/dbraw/zinc/73/59/48/528735948.db2.gz XATYDONIDZCMDB-UHFFFAOYSA-N 0 0 382.201 3.727 40 0 GHABRN CCc1cccc(CC)c1NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000409411444 529167604 /nfs/dbraw/zinc/16/76/04/529167604.db2.gz WYPULWCBXPQVAD-INIZCTEOSA-N 0 0 388.533 3.913 40 0 GHABRN COc1ccc2c(c1)CN(C(=O)c1ccc(Cl)cc1)CC[C@H]1COC(=O)N21 ZINC000225491370 560042525 /nfs/dbraw/zinc/04/25/25/560042525.db2.gz LOEFSTZFXLQOFL-INIZCTEOSA-N 0 0 386.835 3.720 40 0 biogenic,in-vitro GHABRN Cc1ccccc1N1C[C@@]2(CCN(C(=O)c3cnc4ccccc4c3)C2)CC1=O ZINC000096238603 570222243 /nfs/dbraw/zinc/22/22/43/570222243.db2.gz UTGNUCWXPDBYLQ-DEOSSOPVSA-N 0 0 385.467 3.812 40 0 GHABRN O=C(C[C@H]1CC2(CCN(C(=O)CC3CC3)CC2)c2ccccc21)NC1CCC1 ZINC000096242152 570222701 /nfs/dbraw/zinc/22/27/01/570222701.db2.gz RHTUXAUYJZGVFN-SFHVURJKSA-N 0 0 380.532 3.893 40 0 GHABRN Cc1occc1C(=O)N1CCC2(C[C@H](CC(=O)NC3CC3)c3ccccc32)CC1 ZINC000096242289 570222719 /nfs/dbraw/zinc/22/27/19/570222719.db2.gz UQGBGFQEKKRUBO-KRWDZBQOSA-N 0 0 392.499 3.918 40 0 GHABRN O=C(NCc1cccnc1)c1c2ccccn2c2ncnc(-c3ccccc3)c21 ZINC000096264347 570226959 /nfs/dbraw/zinc/22/69/59/570226959.db2.gz UQHCPVWFYASCFU-UHFFFAOYSA-N 0 0 379.423 3.875 40 0 GHABRN Cc1cc(C)c(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)c(C)c1 ZINC000019930718 570230991 /nfs/dbraw/zinc/23/09/91/570230991.db2.gz MFKXQYCNCHNYEE-UHFFFAOYSA-N 0 0 386.517 3.624 40 0 GHABRN Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cc1Cl ZINC000019935615 570231592 /nfs/dbraw/zinc/23/15/92/570231592.db2.gz OBYZMRCHTZAVPB-UHFFFAOYSA-N 0 0 396.871 3.824 40 0 GHABRN COc1ccc([C@H](C)NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cc1 ZINC000019937729 570231970 /nfs/dbraw/zinc/23/19/70/570231970.db2.gz UUTNGVQEHYOIMV-ZDUSSCGKSA-N 0 0 397.862 3.519 40 0 GHABRN Cc1ccc([C@H](NC(=O)c2ccc(NS(C)(=O)=O)cc2)c2ccccc2)cc1 ZINC000020045324 570237388 /nfs/dbraw/zinc/23/73/88/570237388.db2.gz AWGJZYGOQXODMR-OAQYLSRUSA-N 0 0 394.496 3.886 40 0 GHABRN O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccc(F)cc1 ZINC000020108575 570240455 /nfs/dbraw/zinc/24/04/55/570240455.db2.gz NFEAFOCTEFNXPR-UHFFFAOYSA-N 0 0 398.459 3.584 40 0 GHABRN CCSc1ccccc1NC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O ZINC000020451487 570257115 /nfs/dbraw/zinc/25/71/15/570257115.db2.gz KPVWTOSMUJFCPM-QGZVFWFLSA-N 0 0 392.546 3.982 40 0 GHABRN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 ZINC000020457681 570259568 /nfs/dbraw/zinc/25/95/68/570259568.db2.gz DURZBHZOOLMHHJ-MSOLQXFVSA-N 0 0 388.533 3.644 40 0 GHABRN CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1 ZINC000020492638 570263572 /nfs/dbraw/zinc/26/35/72/570263572.db2.gz ZZKUYNIYZDQNNF-IBGZPJMESA-N 0 0 386.517 3.661 40 0 GHABRN O=C(CSc1nc2ccccc2o1)Nc1ccc2c(c1)N1CCN=C1S2 ZINC000020534035 570265800 /nfs/dbraw/zinc/26/58/00/570265800.db2.gz IVWNQXNPLRGCOQ-UHFFFAOYSA-N 0 0 382.470 3.840 40 0 GHABRN Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000100125545 570266687 /nfs/dbraw/zinc/26/66/87/570266687.db2.gz YOGQEDNAPLBIMD-HUUCEWRRSA-N 0 0 392.377 3.869 40 0 GHABRN Cc1ncccc1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccccn3)o2)CC1 ZINC000100155948 570267813 /nfs/dbraw/zinc/26/78/13/570267813.db2.gz BJJSWHDHUKMBET-IYBDPMFKSA-N 0 0 377.448 3.539 40 0 GHABRN Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CCN(Cc1ccccc1F)C3 ZINC000100182179 570268398 /nfs/dbraw/zinc/26/83/98/570268398.db2.gz SOEGSHKDDIUBFX-UHFFFAOYSA-N 0 0 378.407 3.701 40 0 GHABRN O=C(COc1ccccc1F)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000020610451 570272082 /nfs/dbraw/zinc/27/20/82/570272082.db2.gz IBIGXWGVWYSVMZ-UHFFFAOYSA-N 0 0 380.354 3.716 40 0 GHABRN CCc1nn2c(nnc(C(=O)Nc3ccccc3OC)c2C)c1-c1ccccc1 ZINC000020633696 570273115 /nfs/dbraw/zinc/27/31/15/570273115.db2.gz 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570316083 /nfs/dbraw/zinc/31/60/83/570316083.db2.gz VVHHWYBLPCPZHH-SFHVURJKSA-N 0 0 388.533 3.564 40 0 GHABRN COc1cccc(OC)c1[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 ZINC000072221457 570318602 /nfs/dbraw/zinc/31/86/02/570318602.db2.gz MCFCLRQIILVZID-KRWDZBQOSA-N 0 0 375.490 3.928 40 0 GHABRN CN(c1ccccc1C(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000022510760 570318904 /nfs/dbraw/zinc/31/89/04/570318904.db2.gz YAPKSJIIDXTMIU-UHFFFAOYSA-N 0 0 398.459 3.581 40 0 GHABRN COc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000072227905 570319088 /nfs/dbraw/zinc/31/90/88/570319088.db2.gz SGOJKGBGNYBXQP-CABCVRRESA-N 0 0 381.657 3.526 40 0 GHABRN COc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000072227904 570319320 /nfs/dbraw/zinc/31/93/20/570319320.db2.gz SGOJKGBGNYBXQP-HUUCEWRRSA-N 0 0 381.657 3.526 40 0 GHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000022517482 570319574 /nfs/dbraw/zinc/31/95/74/570319574.db2.gz SBQZDBXBSGJZRT-HXUWFJFHSA-N 0 0 388.895 3.855 40 0 GHABRN 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/nfs/dbraw/zinc/34/98/82/570349882.db2.gz REGPQLFIRUBLJS-FQEVSTJZSA-N 0 0 386.517 3.860 40 0 GHABRN CC[C@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 ZINC000219282465 570351084 /nfs/dbraw/zinc/35/10/84/570351084.db2.gz CPIOMYPJUCAWEZ-KRWDZBQOSA-N 0 0 387.476 3.921 40 0 GHABRN CC[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 ZINC000219329521 570355134 /nfs/dbraw/zinc/35/51/34/570355134.db2.gz KXQYKOMPIOHTSO-AWEZNQCLSA-N 0 0 375.425 3.753 40 0 GHABRN CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000219551699 570366870 /nfs/dbraw/zinc/36/68/70/570366870.db2.gz XMNLSBIHPFIBCJ-OXQOHEQNSA-N 0 0 389.517 3.742 40 0 GHABRN Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)C(C)C)cc3n2)cc1Cl ZINC000408619874 570370360 /nfs/dbraw/zinc/37/03/60/570370360.db2.gz IEGGCEKENQHXAD-UHFFFAOYSA-N 0 0 387.896 3.851 40 0 GHABRN CCCCCCOC(=O)OCCNC(=O)[C@H](C)OC(=O)OCCCCCC ZINC000004416869 570374399 /nfs/dbraw/zinc/37/43/99/570374399.db2.gz HSMLJLDRTDMWRF-INIZCTEOSA-N 0 0 389.489 3.958 40 0 GHABRN CCc1ccc(N([C@H](C)C(=O)Nc2c(C)cccc2CC)S(C)(=O)=O)cc1 ZINC000220275555 570384235 /nfs/dbraw/zinc/38/42/35/570384235.db2.gz KDVYCUZINHAMAW-MRXNPFEDSA-N 0 0 388.533 3.913 40 0 GHABRN Cc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccccc2)S(C)(=O)=O)cc1Cl ZINC000220358240 570385643 /nfs/dbraw/zinc/38/56/43/570385643.db2.gz LMZXHMZBNUSXBW-HUUCEWRRSA-N 0 0 394.924 3.680 40 0 GHABRN CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 ZINC000222398929 570409552 /nfs/dbraw/zinc/40/95/52/570409552.db2.gz TZEMWBRKFQKYBE-OAHLLOKOSA-N 0 0 390.936 3.904 40 0 GHABRN CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C ZINC000222395524 570409613 /nfs/dbraw/zinc/40/96/13/570409613.db2.gz YDHLIVQOGZNOTR-SFHVURJKSA-N 0 0 382.504 3.661 40 0 GHABRN Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1N(C)S(C)(=O)=O ZINC000222448711 570411159 /nfs/dbraw/zinc/41/11/59/570411159.db2.gz DPRUNUJQIIJFBA-UHFFFAOYSA-N 0 0 387.288 3.950 40 0 GHABRN CCCOc1ccc(-c2nc3s/c(=C/c4ccc(Cl)cc4)c(=O)n3n2)cc1 ZINC000033662147 570411762 /nfs/dbraw/zinc/41/17/62/570411762.db2.gz YFMBCNTXZYMZET-SFQUDFHCSA-N 0 0 397.887 3.808 40 0 GHABRN Cc1ccc(S(=O)(=O)n2c3ccccc3nc2CN2CCC[C@H](C)C2)cc1 ZINC000004861653 570413393 /nfs/dbraw/zinc/41/33/93/570413393.db2.gz BVXMDSNCCAOGSA-KRWDZBQOSA-N 0 0 383.517 3.814 40 0 GHABRN Cc1ccc(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cc1Cl ZINC000222653175 570418763 /nfs/dbraw/zinc/41/87/63/570418763.db2.gz HHQRQSXCAVGSHR-UHFFFAOYSA-N 0 0 398.887 3.972 40 0 GHABRN CCOC(=O)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1Cl ZINC000222652767 570418789 /nfs/dbraw/zinc/41/87/89/570418789.db2.gz FNVKFTQQMNAYPL-UHFFFAOYSA-N 0 0 375.808 3.817 40 0 GHABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1Cc1ccncc1 ZINC000222727317 570422658 /nfs/dbraw/zinc/42/26/58/570422658.db2.gz NUKHCDKXXFIZAB-VQTJNVASSA-N 0 0 377.517 3.546 40 0 GHABRN COc1ccc(-c2noc(CNC(=O)CSCc3cccc(C)c3)n2)cc1 ZINC000222746891 570423849 /nfs/dbraw/zinc/42/38/49/570423849.db2.gz ZXSZZVHYGZPRLQ-UHFFFAOYSA-N 0 0 383.473 3.603 40 0 GHABRN CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc3ccccc3c2)c1 ZINC000222794026 570426270 /nfs/dbraw/zinc/42/62/70/570426270.db2.gz NDGSCUUGHQRDGW-UHFFFAOYSA-N 0 0 388.876 3.795 40 0 GHABRN CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 ZINC000222800174 570426395 /nfs/dbraw/zinc/42/63/95/570426395.db2.gz OMSJXYVWLOKCBZ-MSOLQXFVSA-N 0 0 383.908 3.913 40 0 GHABRN CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1cccc(C)c1 ZINC000222849411 570428913 /nfs/dbraw/zinc/42/89/13/570428913.db2.gz DGGVPNWSAQHZJA-JOCHJYFZSA-N 0 0 396.531 3.878 40 0 GHABRN COc1ccccc1CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000222866803 570429567 /nfs/dbraw/zinc/42/95/67/570429567.db2.gz SXLSARZZDIZNFE-RGEXLXHISA-N 0 0 392.480 3.844 40 0 GHABRN CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccccc1 ZINC000222937651 570432271 /nfs/dbraw/zinc/43/22/71/570432271.db2.gz YNVSLQVMCWNJTE-INIZCTEOSA-N 0 0 388.508 3.612 40 0 GHABRN COC(=O)c1ccc(CS(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 ZINC000222963746 570433688 /nfs/dbraw/zinc/43/36/88/570433688.db2.gz RKEMXFMZTQQEGV-HNNXBMFYSA-N 0 0 387.501 3.533 40 0 GHABRN COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1 ZINC000222998044 570436108 /nfs/dbraw/zinc/43/61/08/570436108.db2.gz YETRTPGQZGYMHP-HNNXBMFYSA-N 0 0 387.501 3.700 40 0 GHABRN Cc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c(C)c1 ZINC000007940006 570437176 /nfs/dbraw/zinc/43/71/76/570437176.db2.gz ZKPANCYDBMNPFM-UHFFFAOYSA-N 0 0 394.349 3.600 40 0 GHABRN CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 ZINC000223014466 570437318 /nfs/dbraw/zinc/43/73/18/570437318.db2.gz IGYAUCGOKDBDPV-FQEVSTJZSA-N 0 0 384.545 3.949 40 0 GHABRN CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000223041986 570438936 /nfs/dbraw/zinc/43/89/36/570438936.db2.gz KSFMJQJUMFMHGI-SECBINFHSA-N 0 0 399.727 3.647 40 0 GHABRN COc1ccc(CN(C(=O)Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 ZINC000223060811 570441122 /nfs/dbraw/zinc/44/11/22/570441122.db2.gz ZQQNIFYLQKRRDB-QGZVFWFLSA-N 0 0 382.504 3.570 40 0 GHABRN COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 ZINC000223063131 570441259 /nfs/dbraw/zinc/44/12/59/570441259.db2.gz WWSUEIAINXGTHQ-NHCUHLMSSA-N 0 0 392.528 3.881 40 0 GHABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccccc1 ZINC000223084619 570442020 /nfs/dbraw/zinc/44/20/20/570442020.db2.gz MQNXHTJGYWBBHT-SJORKVTESA-N 0 0 386.467 3.537 40 0 GHABRN COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)c1 ZINC000027974844 570446526 /nfs/dbraw/zinc/44/65/26/570446526.db2.gz VKUBIMOSPVLEJI-UHFFFAOYSA-N 0 0 388.272 3.601 40 0 GHABRN CN(C)c1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1 ZINC000005569735 570446899 /nfs/dbraw/zinc/44/68/99/570446899.db2.gz AMJODKJLRBQMEA-UHFFFAOYSA-N 0 0 378.295 3.642 40 0 GHABRN CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)C(C)C ZINC000223200567 570449541 /nfs/dbraw/zinc/44/95/41/570449541.db2.gz FOGSBFBSSAYIMP-NRFANRHFSA-N 0 0 384.495 3.948 40 0 GHABRN CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl ZINC000223239155 570451877 /nfs/dbraw/zinc/45/18/77/570451877.db2.gz QHWCOZMZUYMZQE-SFHVURJKSA-N 0 0 394.849 3.714 40 0 GHABRN O=C(CNC(=O)c1ccccc1)OCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000005715856 570452627 /nfs/dbraw/zinc/45/26/27/570452627.db2.gz OOEBBDMDZRSCEW-UHFFFAOYSA-N 0 0 379.456 3.890 40 0 GHABRN Cc1ccc(OCCNC(=O)COc2ccc(Br)c(C)c2)cc1 ZINC000005814524 570457947 /nfs/dbraw/zinc/45/79/47/570457947.db2.gz GDDSKYCZGPVKJY-UHFFFAOYSA-N 0 0 378.266 3.640 40 0 GHABRN Clc1ccc(CSc2nnnn2-c2ccc3c(c2)OCO3)cc1Cl ZINC000005889890 570460095 /nfs/dbraw/zinc/46/00/95/570460095.db2.gz BMMFHWUSXMNSDK-UHFFFAOYSA-N 0 0 381.244 3.990 40 0 GHABRN CCn1c2cc(C)c(S(=O)(=O)Nc3ccc(Cl)cc3C)cc2oc1=O ZINC000223354353 570461277 /nfs/dbraw/zinc/46/12/77/570461277.db2.gz UVEZPRMRROPFLJ-UHFFFAOYSA-N 0 0 380.853 3.685 40 0 GHABRN COc1ccc(/C=C/C(=O)NCCc2ccc(Cl)cc2)c(OC)c1OC ZINC000223450450 570466711 /nfs/dbraw/zinc/46/67/11/570466711.db2.gz LQLNGXGXPBKQMT-YRNVUSSQSA-N 0 0 375.852 3.738 40 0 GHABRN COc1ccccc1C[C@H]1SC(=O)N(CCOc2ccc(F)cc2)C1=O ZINC000008169199 570468068 /nfs/dbraw/zinc/46/80/68/570468068.db2.gz CKMVOWMYGWUFIS-QGZVFWFLSA-N 0 0 375.421 3.520 40 0 GHABRN Cc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1C ZINC000223506192 570469208 /nfs/dbraw/zinc/46/92/08/570469208.db2.gz GDCHZFKZXOHTDK-AWEZNQCLSA-N 0 0 390.530 3.565 40 0 GHABRN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C ZINC000223531648 570469995 /nfs/dbraw/zinc/46/99/95/570469995.db2.gz JTEUXKNZQVZAQY-WOJBJXKFSA-N 0 0 377.517 3.605 40 0 GHABRN CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl ZINC000223547000 570470723 /nfs/dbraw/zinc/47/07/23/570470723.db2.gz SLZHGVSCZJBCDQ-AWEZNQCLSA-N 0 0 376.859 3.575 40 0 GHABRN CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccc(OC)cc1 ZINC000223551521 570470760 /nfs/dbraw/zinc/47/07/60/570470760.db2.gz HFYNHONOWWKFOG-LJQANCHMSA-N 0 0 396.531 3.614 40 0 GHABRN CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(C)cc1 ZINC000223558339 570471057 /nfs/dbraw/zinc/47/10/57/570471057.db2.gz DRHQFFHBLCTHQC-FQEVSTJZSA-N 0 0 396.531 3.750 40 0 GHABRN O=C1N/C(=C/c2ccc(Br)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000006241894 570473492 /nfs/dbraw/zinc/47/34/92/570473492.db2.gz LCKAACZFGRVMMB-KPKJPENVSA-N 0 0 381.613 3.788 40 0 GHABRN Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCCO ZINC000223624912 570474991 /nfs/dbraw/zinc/47/49/91/570474991.db2.gz AHMDCESKDPGODU-SFTDATJTSA-N 0 0 392.528 3.536 40 0 GHABRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3F)n2C)cc1 ZINC000000779207 570479336 /nfs/dbraw/zinc/47/93/36/570479336.db2.gz WYELLMPTMBMBAZ-UHFFFAOYSA-N 0 0 386.452 3.572 40 0 GHABRN Cc1ccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(C)cc2C)S(C)(=O)=O)cc1 ZINC000260408863 570480403 /nfs/dbraw/zinc/48/04/03/570480403.db2.gz PNVBGAISCCUAIL-QZTJIDSGSA-N 0 0 388.533 3.644 40 0 GHABRN C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1nc2ccccc2s1 ZINC000006468781 570481114 /nfs/dbraw/zinc/48/11/14/570481114.db2.gz OTZUGHTVFVUZEZ-CSNVJCEJSA-N 0 0 383.517 3.956 40 0 GHABRN Cc1ccccc1-n1c(SCC(=O)NCC(C)C)nnc1-c1cccnc1 ZINC000000796449 570481792 /nfs/dbraw/zinc/48/17/92/570481792.db2.gz 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Cc1ccc(C)c(N(CCCC(=O)N(C)C2CCCCC2)S(C)(=O)=O)c1 ZINC000020489800 570262735 /nfs/dbraw/zinc/26/27/35/570262735.db2.gz ZNRHGNHGGWIFGC-UHFFFAOYSA-N 0 0 380.554 3.641 40 0 GHABRN O=C(COc1ccccc1Cl)Nc1cccc(-c2nn3cnnc3s2)c1 ZINC000020528970 570262765 /nfs/dbraw/zinc/26/27/65/570262765.db2.gz BIXSTBSYMADGIP-UHFFFAOYSA-N 0 0 385.836 3.524 40 0 GHABRN Cc1ccc(S(=O)(=O)C[C@]2(Br)CCc3ccccc3C2=O)cc1 ZINC000001563784 570265063 /nfs/dbraw/zinc/26/50/63/570265063.db2.gz HLFWFYVMWBSMLM-GOSISDBHSA-N 0 0 393.302 3.732 40 0 GHABRN O=C1NC(=Cc2ccc(O)c(Br)c2)C(=O)N1c1cccc(Cl)c1 ZINC000100327305 570270903 /nfs/dbraw/zinc/27/09/03/570270903.db2.gz GLHJUXUBMHUYEG-QPEQYQDCSA-N 0 0 393.624 3.905 40 0 GHABRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NS(=O)(=O)c1ccccc1 ZINC000020611124 570272021 /nfs/dbraw/zinc/27/20/21/570272021.db2.gz SNXQUBGCAICJIR-UHFFFAOYSA-N 0 0 382.420 3.669 40 0 GHABRN COc1ccccc1-c1c(C)nc2nc(SCc3ccccc3)nn2c1N ZINC000020676200 570275037 /nfs/dbraw/zinc/27/50/37/570275037.db2.gz DSVBSEQULUSLHA-UHFFFAOYSA-N 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570301515 /nfs/dbraw/zinc/30/15/15/570301515.db2.gz AEGVZGRMBDEYPN-AWEZNQCLSA-N 0 0 376.409 3.999 40 0 GHABRN O=C(Nc1ccccc1Cl)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000216464644 570302109 /nfs/dbraw/zinc/30/21/09/570302109.db2.gz QHIRCUPOBOQQBK-UHFFFAOYSA-N 0 0 378.881 3.518 40 0 GHABRN CCOP(=O)(OCC)[C@@](F)(CCC(C)=O)S(=O)(=O)c1ccccc1 ZINC000205585615 570303075 /nfs/dbraw/zinc/30/30/75/570303075.db2.gz XVOFTNDTVJXVMU-HNNXBMFYSA-N 0 0 380.374 3.719 40 0 GHABRN Cn1cc(C(=O)Nc2cccc(Br)c2)c(=O)c2cc(F)ccc21 ZINC000022236264 570309169 /nfs/dbraw/zinc/30/91/69/570309169.db2.gz FJHSHBHUYHNWLI-UHFFFAOYSA-N 0 0 375.197 3.692 40 0 GHABRN Cc1cc(C)c(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(C)(=O)=O)c(C)c1 ZINC000022387206 570315649 /nfs/dbraw/zinc/31/56/49/570315649.db2.gz ZMOZEBBGZYXSBU-UHFFFAOYSA-N 0 0 394.924 3.978 40 0 GHABRN O=C(NCc1ccco1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000022508770 570318700 /nfs/dbraw/zinc/31/87/00/570318700.db2.gz PJUPEPKXCVPJKS-UHFFFAOYSA-N 0 0 390.848 3.664 40 0 GHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1-n1ccnc1C ZINC000022519509 570319655 /nfs/dbraw/zinc/31/96/55/570319655.db2.gz NFPKYDUMLDGWAH-OAQYLSRUSA-N 0 0 379.460 3.663 40 0 GHABRN CCCC(=O)N1CCN(CCC)C(=O)[C@@H]1Cc1cccc(-c2ccncc2)c1 ZINC000072351697 570339379 /nfs/dbraw/zinc/33/93/79/570339379.db2.gz JGHYJOSBEVNJJF-NRFANRHFSA-N 0 0 379.504 3.541 40 0 GHABRN COc1cccc(-c2noc(CNC(=O)CCSCc3ccccc3)n2)c1 ZINC000219000254 570345529 /nfs/dbraw/zinc/34/55/29/570345529.db2.gz QUDCLJNGCHEAJY-UHFFFAOYSA-N 0 0 383.473 3.685 40 0 GHABRN CC[C@@H](C(=O)N[C@H](C)c1ccc(C)c(C)c1)N(c1ccccc1)S(C)(=O)=O ZINC000219087562 570347461 /nfs/dbraw/zinc/34/74/61/570347461.db2.gz SMVXCNHJIBTPRY-XLIONFOSSA-N 0 0 388.533 3.725 40 0 GHABRN CC[C@@H](NC(=O)[C@@H](CC)Oc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000219328457 570355116 /nfs/dbraw/zinc/35/51/16/570355116.db2.gz RALJYDADXKALEL-RTBURBONSA-N 0 0 393.480 3.654 40 0 GHABRN CCCCCC(=O)NC(=S)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000057327792 570358899 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C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)Cc2ccccc2N2CCOCC2)o1 ZINC000032215672 570408612 /nfs/dbraw/zinc/40/86/12/570408612.db2.gz BVJUWXVQFWSNGP-UILBMPDPSA-N 0 0 380.488 3.911 40 0 GHABRN CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 ZINC000222431793 570410531 /nfs/dbraw/zinc/41/05/31/570410531.db2.gz LPZJYBZGZVBWJD-SFHVURJKSA-N 0 0 384.545 3.782 40 0 GHABRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 ZINC000222499964 570412723 /nfs/dbraw/zinc/41/27/23/570412723.db2.gz KGLAYHIWUVRSCB-PGRDOPGGSA-N 0 0 396.531 3.960 40 0 GHABRN CC(C)Oc1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1 ZINC000222516917 570413320 /nfs/dbraw/zinc/41/33/20/570413320.db2.gz LTAYLLHCRYLHJU-UHFFFAOYSA-N 0 0 396.896 3.775 40 0 GHABRN CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1 ZINC000222536173 570414056 /nfs/dbraw/zinc/41/40/56/570414056.db2.gz NDHJDPOPGUPNKD-ZDUSSCGKSA-N 0 0 395.286 3.536 40 0 GHABRN CCc1ccccc1NC(=O)CCNC(=O)c1ccc2nc(Cl)n(C)c2c1 ZINC000222548767 570414271 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COc1cccc(-c2noc(CN(C)C(=O)COc3ccccc3C(C)C)n2)c1 ZINC000222814652 570427302 /nfs/dbraw/zinc/42/73/02/570427302.db2.gz VFJCEUWNYAXOSZ-UHFFFAOYSA-N 0 0 395.459 3.906 40 0 GHABRN COc1ccc(CCNC(=O)CCc2ncc(-c3ccccc3)o2)cc1OC ZINC000026676524 570427808 /nfs/dbraw/zinc/42/78/08/570427808.db2.gz KOTAVUOJMBPGIE-UHFFFAOYSA-N 0 0 380.444 3.650 40 0 GHABRN CSc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1NC(C)=O ZINC000222825442 570427937 /nfs/dbraw/zinc/42/79/37/570427937.db2.gz ZKXQIJZCLDMPSK-UHFFFAOYSA-N 0 0 388.873 3.960 40 0 GHABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1Br ZINC000038755500 570428990 /nfs/dbraw/zinc/42/89/90/570428990.db2.gz SNYKQTMQSKKZQJ-LBPRGKRZSA-N 0 0 384.295 3.806 40 0 GHABRN CCOC(=O)C1CCN(C(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)CC1 ZINC000222918145 570431473 /nfs/dbraw/zinc/43/14/73/570431473.db2.gz PIRXTXQJKQQAFK-LJQANCHMSA-N 0 0 375.509 3.943 40 0 GHABRN CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)Cc1ccccc1C ZINC000222946518 570432628 /nfs/dbraw/zinc/43/26/28/570432628.db2.gz 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/nfs/dbraw/zinc/16/03/03/221160303.db2.gz NYMZOOSFLUKQOM-UHFFFAOYSA-N 0 0 391.515 3.931 40 0 GHABRN Cc1cc2nc([C@H]3CCCN(C(=O)c4ccco4)C3)cc(C(F)(F)F)n2n1 ZINC000012186747 221163437 /nfs/dbraw/zinc/16/34/37/221163437.db2.gz FHGSPNHFMBXTFF-LBPRGKRZSA-N 0 0 378.354 3.669 40 0 GHABRN Cc1onc(-c2ccncc2)c1C(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000012193399 221165019 /nfs/dbraw/zinc/16/50/19/221165019.db2.gz NCQWUVNAMXTADH-UHFFFAOYSA-N 0 0 395.419 3.879 40 0 GHABRN Cc1ccccc1-c1noc([C@@H](C)NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)n1 ZINC000012201132 221166885 /nfs/dbraw/zinc/16/68/85/221166885.db2.gz VADSETSVKSMJKB-PXAZEXFGSA-N 0 0 383.835 3.879 40 0 GHABRN Cc1ccccc1-c1noc([C@H](C)NC(=O)c2cccc(N3CCCC3=O)c2)n1 ZINC000012201222 221166959 /nfs/dbraw/zinc/16/69/59/221166959.db2.gz KJYGJYNJUFUIGW-HNNXBMFYSA-N 0 0 390.443 3.663 40 0 GHABRN O=C(NCc1nc(-c2ccccc2Cl)no1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000012201312 221167198 /nfs/dbraw/zinc/16/71/98/221167198.db2.gz UYRJDKCZSJPSQI-HNNXBMFYSA-N 0 0 390.226 3.663 40 0 GHABRN CC(C)c1ccccc1OCC(=O)Nc1nc2c(s1)CCc1c-2cnn1C ZINC000012220495 221169447 /nfs/dbraw/zinc/16/94/47/221169447.db2.gz QAPFWKYFHXVQEY-UHFFFAOYSA-N 0 0 382.489 3.783 40 0 GHABRN CCOC(=O)N1CCN(c2ncc(-c3ccncc3)c(-c3cccs3)n2)CC1 ZINC000012222169 221169492 /nfs/dbraw/zinc/16/94/92/221169492.db2.gz RYVOMRQNBURAGM-UHFFFAOYSA-N 0 0 395.488 3.546 40 0 GHABRN Cc1cc(-c2cnn(CCNC(=O)CC3CCCC3)c2-c2ccc(C)nc2)on1 ZINC000012223163 221170239 /nfs/dbraw/zinc/17/02/39/221170239.db2.gz QYVKDHDZYQBWBP-UHFFFAOYSA-N 0 0 393.491 3.913 40 0 GHABRN Cc1nc(C)n([C@@H](C)CC(=O)N[C@H](Cc2ccsc2)c2ncccc2C)n1 ZINC000012229476 221170417 /nfs/dbraw/zinc/17/04/17/221170417.db2.gz KKFQEKHKMFTFCO-KBXCAEBGSA-N 0 0 383.521 3.711 40 0 GHABRN Cc1cnc(NC(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)s1 ZINC000012252805 221173783 /nfs/dbraw/zinc/17/37/83/221173783.db2.gz DEQZMMJYPUMGSA-UHFFFAOYSA-N 0 0 386.502 3.664 40 0 GHABRN CN1C[C@@H](NC(=O)C2CCCCC2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000012529796 221203091 /nfs/dbraw/zinc/20/30/91/221203091.db2.gz MJJFWWHVZRFPJT-IRXDYDNUSA-N 0 0 388.899 3.832 40 0 biogenic,in-vitro GHABRN Cc1cc(C(=O)N2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)sc1C ZINC000012406976 221188645 /nfs/dbraw/zinc/18/86/45/221188645.db2.gz XJSHDTVAVVEOFL-GFCCVEGCSA-N 0 0 391.447 3.760 40 0 GHABRN CCN1C(=O)/C(=C/c2ccc(C)cc2)N=C1SCC(=O)NC1CCCCC1 ZINC000012411864 221190499 /nfs/dbraw/zinc/19/04/99/221190499.db2.gz XHLPJLRMTWIOIY-AQTBWJFISA-N 0 0 385.533 3.736 40 0 GHABRN Cc1c(NC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)c(=O)n(-c2ccccc2)n1C ZINC000012807396 221235309 /nfs/dbraw/zinc/23/53/09/221235309.db2.gz GKMSWDIFVPLBJX-MRMPSVPGSA-N 0 0 377.444 3.853 40 0 GHABRN COc1ccc(C(=O)C2CCN(C(=S)NCCc3ccccc3)CC2)cc1 ZINC000013556046 221272566 /nfs/dbraw/zinc/27/25/66/221272566.db2.gz UZGNYNGSQCUKOF-UHFFFAOYSA-N 0 0 382.529 3.707 40 0 GHABRN COc1ccccc1N1CCN(C(=O)[C@@H](C)Oc2cccc3ccccc32)CC1 ZINC000013708988 221283059 /nfs/dbraw/zinc/28/30/59/221283059.db2.gz YSYAAXYPXPGRGI-GOSISDBHSA-N 0 0 390.483 3.965 40 0 GHABRN CC[C@H](C(=O)Nc1ccc(C)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714109 221283064 /nfs/dbraw/zinc/28/30/64/221283064.db2.gz DKMIOMPHJBRJTR-QGZVFWFLSA-N 0 0 380.897 3.832 40 0 GHABRN CC[C@@H](C(=O)N(C)Cc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714078 221283261 /nfs/dbraw/zinc/28/32/61/221283261.db2.gz SMLDAJQYDONQEQ-SFHVURJKSA-N 0 0 394.924 3.543 40 0 GHABRN CC[C@@H](C(=O)Nc1cccc(C)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714107 221283329 /nfs/dbraw/zinc/28/33/29/221283329.db2.gz XJZLRBUENITHAU-KRWDZBQOSA-N 0 0 380.897 3.832 40 0 GHABRN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000013709236 221283437 /nfs/dbraw/zinc/28/34/37/221283437.db2.gz PMOKUNKYNQVPJU-OAHLLOKOSA-N 0 0 398.484 3.642 40 0 GHABRN CC(=O)Oc1ccc2c(c1)O[C@H](c1ccccc1)C[C@@]21CC(C)(C)NC(=S)N1 ZINC000013879159 221292773 /nfs/dbraw/zinc/29/27/73/221292773.db2.gz AYSYGLFCZRLLKZ-SIKLNZKXSA-N 0 0 396.512 3.977 40 0 GHABRN CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000015305975 221333662 /nfs/dbraw/zinc/33/36/62/221333662.db2.gz CLDFKISGRKFUDC-UHFFFAOYSA-N 0 0 390.530 3.835 40 0 GHABRN COc1cccc(NC(=S)N2CCC(NC(=O)C3CCCCC3)CC2)c1 ZINC000015935885 221351909 /nfs/dbraw/zinc/35/19/09/221351909.db2.gz LHBUHLMRNKAEHK-UHFFFAOYSA-N 0 0 375.538 3.553 40 0 GHABRN CC(C)c1nnc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)s1 ZINC000015936093 221352600 /nfs/dbraw/zinc/35/26/00/221352600.db2.gz BDUWANIGYVPLPB-GFCCVEGCSA-N 0 0 391.472 3.683 40 0 GHABRN COc1ccc(Br)cc1S(=O)(=O)N[C@H](C)c1ccccc1C ZINC000016087432 221357021 /nfs/dbraw/zinc/35/70/21/221357021.db2.gz VONQGTOOUIJCDB-GFCCVEGCSA-N 0 0 384.295 3.806 40 0 GHABRN O=S1(=O)CC[C@@H](Sc2nc3c(c(-c4ccc(Cl)cc4)n2)CCCC3)C1 ZINC000016429364 221362203 /nfs/dbraw/zinc/36/22/03/221362203.db2.gz IVWYSMQZMJFADN-CQSZACIVSA-N 0 0 394.949 3.955 40 0 GHABRN COc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3F)o2)c1 ZINC000017227428 221382862 /nfs/dbraw/zinc/38/28/62/221382862.db2.gz SYYILLMTZYBQJH-UHFFFAOYSA-N 0 0 389.408 3.527 40 0 GHABRN CCc1nn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=S)n1-n1cccc1 ZINC000016777810 221370386 /nfs/dbraw/zinc/37/03/86/221370386.db2.gz ZSGLMSRSGOWHDN-UHFFFAOYSA-N 0 0 395.410 3.747 40 0 GHABRN CSc1ccc(/C=c2/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 ZINC000016779408 221371186 /nfs/dbraw/zinc/37/11/86/221371186.db2.gz ZWEJPONLOWAOAI-AAMUTCKCSA-N 0 0 377.494 3.591 40 0 GHABRN COC(=O)C[C@@H](c1ccc(OC)cc1)[C@H](CC(=O)OC)c1ccc(OC)cc1 ZINC000018029267 221386220 /nfs/dbraw/zinc/38/62/20/221386220.db2.gz IGCAIHLXNHWPFM-BGYRXZFFSA-N 0 0 386.444 3.697 40 0 GHABRN Cc1cc(-c2cc(=O)[nH]nc2C2CCN(C(=O)C=Cc3ccccc3)CC2)on1 ZINC000019121183 221397521 /nfs/dbraw/zinc/39/75/21/221397521.db2.gz ZSRMLCURGKXASZ-FPLPWBNLSA-N 0 0 390.443 3.565 40 0 GHABRN Cc1nc(N)sc1C(=O)N1CCC[C@@H](c2nc(C)cc(-c3cccs3)n2)C1 ZINC000019117748 221397623 /nfs/dbraw/zinc/39/76/23/221397623.db2.gz KPALXRGROHDCIK-CYBMUJFWSA-N 0 0 399.545 3.880 40 0 GHABRN Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)c2ccccc2)on1 ZINC000019121940 221398138 /nfs/dbraw/zinc/39/81/38/221398138.db2.gz KLOBGIIWTKZEGJ-SFHVURJKSA-N 0 0 391.475 3.873 40 0 GHABRN Cc1cccc(CC(=O)N[C@@H](Cc2cc(=O)[nH]c(C)n2)c2ccc(Cl)cc2)c1 ZINC000019234836 221401728 /nfs/dbraw/zinc/40/17/28/221401728.db2.gz DTCORNLDDNQHOM-FQEVSTJZSA-N 0 0 395.890 3.683 40 0 GHABRN COc1cc2[nH]c(=O)c(CNc3cccc4ncccc43)cc2c(OC)c1OC ZINC000019550500 221425138 /nfs/dbraw/zinc/42/51/38/221425138.db2.gz BMWAPABXSVNRGF-UHFFFAOYSA-N 0 0 391.427 3.714 40 0 GHABRN Cn1cc(-c2csc(NC(=O)Cc3csc(-c4ccccc4)n3)n2)cn1 ZINC000019715093 221445774 /nfs/dbraw/zinc/44/57/74/221445774.db2.gz XDUCCYATWSPANT-UHFFFAOYSA-N 0 0 381.486 3.848 40 0 GHABRN CCc1nnc2n1C[C@H](c1ccc(NC(=O)c3cccc(OC)c3)cc1)CC2 ZINC000019698992 221441860 /nfs/dbraw/zinc/44/18/60/221441860.db2.gz LFFWHVGCVROBOS-QGZVFWFLSA-N 0 0 376.460 3.831 40 0 GHABRN COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1cc(C)nc3onc(C)c31)cn2C ZINC000019715857 221446237 /nfs/dbraw/zinc/44/62/37/221446237.db2.gz AFAVJVMTXWBRQB-GFCCVEGCSA-N 0 0 392.459 3.701 40 0 GHABRN CSc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000019935689 221465032 /nfs/dbraw/zinc/46/50/32/221465032.db2.gz MFBHQOFTXNHSTP-UHFFFAOYSA-N 0 0 394.493 3.584 40 0 GHABRN CCc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(C)cc2)S(C)(=O)=O)cc1 ZINC000020481024 221492244 /nfs/dbraw/zinc/49/22/44/221492244.db2.gz KWVGOJXWQNEHQC-FQEVSTJZSA-N 0 0 388.533 3.591 40 0 GHABRN COC(=O)C1C(c2ccc(Cl)cc2)=NC(=S)N[C@@H]1c1cccc(F)c1 ZINC000105093581 533270007 /nfs/dbraw/zinc/27/00/07/533270007.db2.gz CEUFMPBHAYYMGW-MRXNPFEDSA-N 0 0 376.840 3.582 40 0 GHABRN COc1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@]2(O)C(C)(F)F)cc1 ZINC000409001109 533317626 /nfs/dbraw/zinc/31/76/26/533317626.db2.gz GXNOAMOQVTZALM-IBGZPJMESA-N 0 0 394.805 3.943 40 0 GHABRN COc1cccc(C2=N/C(=C\c3ccccc3OC(=O)c3ccco3)C(=O)O2)c1 ZINC000409191325 533438629 /nfs/dbraw/zinc/43/86/29/533438629.db2.gz VPKKTVMSLQBZIV-LGMDPLHJSA-N 0 0 389.363 3.852 40 0 GHABRN COC(=O)COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C ZINC000408584430 533562775 /nfs/dbraw/zinc/56/27/75/533562775.db2.gz PRCQODSAXWHACK-UHFFFAOYSA-N 0 0 391.489 3.779 40 0 GHABRN COc1cccc(NC(=O)Cn2nc(COc3cccc(C)c3)oc2=S)c1 ZINC000409152046 533608447 /nfs/dbraw/zinc/60/84/47/533608447.db2.gz ABROAXFCGOHKHV-UHFFFAOYSA-N 0 0 385.445 3.740 40 0 GHABRN Cc1ccc(C)c(N2CCN([C@H](c3nnnn3C3CCCC3)C(C)C)CC2)c1 ZINC000057669591 132453907 /nfs/dbraw/zinc/45/39/07/132453907.db2.gz PZIBEPXOXXNQOA-NRFANRHFSA-N 0 0 382.556 3.924 40 0 GHABRN O=C(c1ccco1)N1CC[C@@H](c2ccn(C[C@@H]3CCCO3)n2)c2ccccc21 ZINC000096260809 136185915 /nfs/dbraw/zinc/18/59/15/136185915.db2.gz DMRYAIBOEWGLLV-DLBZAZTESA-N 0 0 377.444 3.838 40 0 GHABRN Cc1ccc(C)c(CN2c3cc(C(=O)NC4CC4)ccc3OC(C)(C)C2=O)c1 ZINC000004965786 136194400 /nfs/dbraw/zinc/19/44/00/136194400.db2.gz YCUDQESLQAWONF-UHFFFAOYSA-N 0 0 378.472 3.900 40 0 GHABRN Cc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3ccccc3)CC2)cc1 ZINC000020139278 136202520 /nfs/dbraw/zinc/20/25/20/136202520.db2.gz ZBDGXGBBGAAWIX-OAQYLSRUSA-N 0 0 390.535 3.648 40 0 GHABRN Cc1ccc([C@@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c(C)c1 ZINC000222588946 136204884 /nfs/dbraw/zinc/20/48/84/136204884.db2.gz KXVBUWLAORHNHB-QGZVFWFLSA-N 0 0 386.517 3.724 40 0 GHABRN O=C(NCCc1ccccc1)[C@H]1CN(C(=O)C2CCCCC2)c2ccccc2O1 ZINC000222973069 136205238 /nfs/dbraw/zinc/20/52/38/136205238.db2.gz KVYCAJIUTCCXHB-JOCHJYFZSA-N 0 0 392.499 3.720 40 0 GHABRN O=C(COc1cccc2cccnc21)N1CCN(c2cccc(Cl)c2)CC1 ZINC000223136088 136205734 /nfs/dbraw/zinc/20/57/34/136205734.db2.gz CQPOXUQTSJFJGS-UHFFFAOYSA-N 0 0 381.863 3.616 40 0 GHABRN CCn1cc(C(=O)Nc2ccc(F)c(F)c2F)c(=O)c2cc(OC)ccc21 ZINC000022236093 221555180 /nfs/dbraw/zinc/55/51/80/221555180.db2.gz YOCHDIOMTNBZIZ-UHFFFAOYSA-N 0 0 376.334 3.700 40 0 GHABRN Cc1ccc(N(CC(=O)N[C@H](C)c2cc(C)ccc2C)S(C)(=O)=O)c(C)c1 ZINC000022328180 221558178 /nfs/dbraw/zinc/55/81/78/221558178.db2.gz XHTLBZUONJKKFZ-GOSISDBHSA-N 0 0 388.533 3.564 40 0 GHABRN Cc1ccc(Nc2nnc(SCc3ccc(Cl)cc3)n(N)c2=O)c(C)c1 ZINC000028535676 221680040 /nfs/dbraw/zinc/68/00/40/221680040.db2.gz 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COc1ccc2c(c1)C(=O)N[C@@H]2CC(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000012155419 221159985 /nfs/dbraw/zinc/15/99/85/221159985.db2.gz OUPIBMSVIUNVIV-LJQANCHMSA-N 0 0 382.435 3.595 40 0 GHABRN Cn1ncc2c1CCc1sc(NC(=O)c3ccccc3C(F)(F)F)nc1-2 ZINC000012327186 221183127 /nfs/dbraw/zinc/18/31/27/221183127.db2.gz LJQWGKYCMXKFHM-UHFFFAOYSA-N 0 0 378.379 3.913 40 0 GHABRN Cc1ccc(-c2ccccc2CC2(C(=O)NCCCO)CCOCC2)c(C)c1 ZINC000012366599 221185276 /nfs/dbraw/zinc/18/52/76/221185276.db2.gz NHVUCNISWLHOLK-UHFFFAOYSA-N 0 0 381.516 3.808 40 0 GHABRN C[C@@]12CC[C@@H](C[C@@H]1C(=O)N1CCCCCC1)[C@@]1(C2)NC(=O)c2ccccc2O1 ZINC000012184800 221163418 /nfs/dbraw/zinc/16/34/18/221163418.db2.gz HTMJBABCXCNWJE-GFHCSAFJSA-N 0 0 382.504 3.734 40 0 GHABRN Cc1cc2occ(CC(=O)N[C@H](C)c3nc(-c4cccnc4)n[nH]3)c2cc1C ZINC000012191802 221165383 /nfs/dbraw/zinc/16/53/83/221165383.db2.gz WJNRCZHVMYABSN-CQSZACIVSA-N 0 0 375.432 3.650 40 0 GHABRN C[C@]1(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)CC(c2ccccc2)=NO1 ZINC000012192963 221165392 /nfs/dbraw/zinc/16/53/92/221165392.db2.gz AHJLOWBSKNSKIF-OAQYLSRUSA-N 0 0 378.407 3.592 40 0 GHABRN Cc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(Cn3cccn3)cc2)n1 ZINC000012201181 221166711 /nfs/dbraw/zinc/16/67/11/221166711.db2.gz GBPRZLADLYDQQI-MRXNPFEDSA-N 0 0 387.443 3.781 40 0 GHABRN COc1ccc(-c2cc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)n(C)n2)cc1 ZINC000012200914 221167027 /nfs/dbraw/zinc/16/70/27/221167027.db2.gz VREUGROLSVHQGV-SFHVURJKSA-N 0 0 383.835 3.691 40 0 GHABRN O=C(Nc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000012197150 221167120 /nfs/dbraw/zinc/16/71/20/221167120.db2.gz DJUQJMMGMXQESZ-IBGZPJMESA-N 0 0 384.863 3.908 40 0 GHABRN CCc1nc2ccc(C(=O)NCc3noc(-c4ccccc4)n3)cc2nc1CC ZINC000012203017 221167513 /nfs/dbraw/zinc/16/75/13/221167513.db2.gz XLKNWJQHMZBPOD-UHFFFAOYSA-N 0 0 387.443 3.735 40 0 GHABRN CC(=O)N1c2ccc(NC(=O)c3nn4c(nc(C)cc4C)c3Cl)cc2C[C@H]1C ZINC000012204491 221168511 /nfs/dbraw/zinc/16/85/11/221168511.db2.gz HYXUZYDPNWSTBJ-LLVKDONJSA-N 0 0 397.866 3.549 40 0 GHABRN CC1(C)Cc2nc(N3CCCC3)ncc2[C@@H](NC(=O)CCc2ccccc2)C1 ZINC000012221018 221169799 /nfs/dbraw/zinc/16/97/99/221169799.db2.gz YSNPOIRWENOKQU-IBGZPJMESA-N 0 0 378.520 3.839 40 0 GHABRN Cc1oc2ncn3nc([C@H](NC(=O)Cc4cccc(C)c4)C(C)C)nc3c2c1C ZINC000012236110 221171432 /nfs/dbraw/zinc/17/14/32/221171432.db2.gz JWUUTZGPSPOHNR-LJQANCHMSA-N 0 0 391.475 3.852 40 0 GHABRN COc1cccc(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c1 ZINC000012238714 221172120 /nfs/dbraw/zinc/17/21/20/221172120.db2.gz JVGFAFVHKZMDEA-FQEVSTJZSA-N 0 0 388.471 3.991 40 0 GHABRN Nc1nc(Nc2ccccc2)sc1C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000013573696 221274370 /nfs/dbraw/zinc/27/43/70/221274370.db2.gz CTAHHURWUXJXKS-UHFFFAOYSA-N 0 0 397.479 3.570 40 0 GHABRN COc1ccc(CCNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1OC ZINC000013708307 221282918 /nfs/dbraw/zinc/28/29/18/221282918.db2.gz RSDUCBLQCRPBJJ-INIZCTEOSA-N 0 0 379.456 3.983 40 0 GHABRN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714074 221283008 /nfs/dbraw/zinc/28/30/08/221283008.db2.gz UYZVHJQLIFLLHP-KSSFIOAISA-N 0 0 394.924 3.762 40 0 GHABRN CC[C@@H](C(=O)Nc1cccc(C)c1C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715295 221283160 /nfs/dbraw/zinc/28/31/60/221283160.db2.gz DGNUZFGZWLDGKS-SFHVURJKSA-N 0 0 378.469 3.626 40 0 GHABRN CCOc1ccccc1NC(=O)[C@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713115 221283162 /nfs/dbraw/zinc/28/31/62/221283162.db2.gz HUZPODZQINVZLL-SFHVURJKSA-N 0 0 390.505 3.577 40 0 GHABRN CC[C@@H](C(=O)Nc1ccc(OC(C)C)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000013711631 221283621 /nfs/dbraw/zinc/28/36/21/221283621.db2.gz DZEXHQNQELHGIK-IBGZPJMESA-N 0 0 390.505 3.657 40 0 GHABRN Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c(C)c1 ZINC000014003283 221296255 /nfs/dbraw/zinc/29/62/55/221296255.db2.gz BEQFTTSKNOGFPV-UHFFFAOYSA-N 0 0 378.428 3.844 40 0 GHABRN CCc1nn2c(nnc3c2CC(C)(C)CC3=O)c1-c1ccc(OC)c(OC)c1 ZINC000014607805 221313664 /nfs/dbraw/zinc/31/36/64/221313664.db2.gz LOZWUVWKYRKZIW-UHFFFAOYSA-N 0 0 380.448 3.526 40 0 GHABRN Cc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3C(=O)CC(C)(C)C)n2)cc1 ZINC000015675798 221338681 /nfs/dbraw/zinc/33/86/81/221338681.db2.gz MMQZEDPXNVUJCD-KRWDZBQOSA-N 0 0 379.464 3.830 40 0 biogenic,in-vitro GHABRN COc1ccc(CCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000016093375 221357099 /nfs/dbraw/zinc/35/70/99/221357099.db2.gz UAZHANUJXZEKQU-UHFFFAOYSA-N 0 0 390.288 3.532 40 0 GHABRN COc1ccc(C)cc1CN1CCC[C@H]1c1nc(-c2ccccn2)cc(=O)[nH]1 ZINC000019133491 221398864 /nfs/dbraw/zinc/39/88/64/221398864.db2.gz QXNFWICIWBSPDX-IBGZPJMESA-N 0 0 376.460 3.898 40 0 GHABRN CC(=O)N(C)C1CCC2(CC1)CN(C(=O)C[C@@H]1C=CCC1)Cc1ccccc1O2 ZINC000019016257 221393713 /nfs/dbraw/zinc/39/37/13/221393713.db2.gz QDHPQVCMEHWLOL-JVIIGWRGSA-N 0 0 396.531 3.924 40 0 GHABRN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1 ZINC000019077998 221394658 /nfs/dbraw/zinc/39/46/58/221394658.db2.gz IDEVUVPDBSIMMP-AWEZNQCLSA-N 0 0 395.434 3.648 40 0 GHABRN CC(C)C(=O)N1CCC[C@](Cc2cccc(-c3cccc(F)c3)c2)(C(N)=O)C1 ZINC000019085398 221396015 /nfs/dbraw/zinc/39/60/15/221396015.db2.gz WPBGWRLOWQWMKD-HSZRJFAPSA-N 0 0 382.479 3.785 40 0 GHABRN COc1ccc(OCC(=O)N2CCCC[C@H]2c2[nH]ncc2-c2cc(C)no2)cc1 ZINC000019120841 221397727 /nfs/dbraw/zinc/39/77/27/221397727.db2.gz SEVVMNWIRAPKES-SFHVURJKSA-N 0 0 396.447 3.514 40 0 GHABRN Cc1cc(C(=O)N2CCC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)C2)on1 ZINC000019119824 221398007 /nfs/dbraw/zinc/39/80/07/221398007.db2.gz ABWVEPRLPWUTKG-IFUGULHKSA-N 0 0 397.401 3.507 40 0 GHABRN O=C(c1ccc(Cn2cccn2)o1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000019375758 221410923 /nfs/dbraw/zinc/41/09/23/221410923.db2.gz OXDBOSUHEYJFMC-GOSISDBHSA-N 0 0 375.432 3.768 40 0 GHABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4CC=CCC4)C3)cc2N1 ZINC000019574908 221430162 /nfs/dbraw/zinc/43/01/62/221430162.db2.gz RWYRVQXWHZYZKJ-HLPPOEQASA-N 0 0 382.430 3.863 40 0 GHABRN CC(=O)N[C@@H](CC(=O)N[C@H](C)c1nc2ccccc2s1)c1ccc(F)cc1 ZINC000019459831 221416143 /nfs/dbraw/zinc/41/61/43/221416143.db2.gz ISXUCMPZCWUOIO-PXAZEXFGSA-N 0 0 385.464 3.880 40 0 GHABRN CCCSc1ncc(CN2[C@@H]3CC[C@H]2Cc2c3cnc3cc(C)nn32)cn1 ZINC000019525204 221421311 /nfs/dbraw/zinc/42/13/11/221421311.db2.gz VWUNZJYRZHYNGD-DOTOQJQBSA-N 0 0 380.521 3.592 40 0 GHABRN CCNC(=O)[C@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)C2CC2)C1 ZINC000019528805 221423490 /nfs/dbraw/zinc/42/34/90/221423490.db2.gz FRBBNOMZTGRMPE-DEOSSOPVSA-N 0 0 394.490 3.800 40 0 GHABRN CCn1nc(C)c(-c2cc(C(=O)NCC(C)(C)c3cccc(F)c3)[nH]n2)c1C ZINC000019660909 221437921 /nfs/dbraw/zinc/43/79/21/221437921.db2.gz WQLXTQNKPXQRAU-UHFFFAOYSA-N 0 0 383.471 3.757 40 0 GHABRN COc1ccc(-c2ccccc2NC(=O)c2ccc(Cn3cnnn3)cc2)cc1 ZINC000019665795 221439483 /nfs/dbraw/zinc/43/94/83/221439483.db2.gz MMKLQDWSXFFRDZ-UHFFFAOYSA-N 0 0 385.427 3.649 40 0 GHABRN CC(C)N1C(=S)N(c2ccc(F)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 ZINC000020468901 221493324 /nfs/dbraw/zinc/49/33/24/221493324.db2.gz LQOAEPGJXCISOJ-KRWDZBQOSA-N 0 0 385.464 3.565 40 0 GHABRN CCC(=O)N1CCC[C@@H]1c1nc(C)c2c(n1)N(Cc1ccc(F)cc1)CCC2 ZINC000072372954 136168897 /nfs/dbraw/zinc/16/88/97/136168897.db2.gz KTDIVCBFGJBVBS-LJQANCHMSA-N 0 0 382.483 3.950 40 0 GHABRN Fc1cnc(N2CCC3(CC2)CN(Cc2nccs2)Cc2ccccc23)nc1 ZINC000096242623 136185589 /nfs/dbraw/zinc/18/55/89/136185589.db2.gz XDGZMCNDNVFNAG-UHFFFAOYSA-N 0 0 395.507 3.626 40 0 GHABRN CC[C@@H](Oc1ccccc1OC)C(=O)NCCCN1CCCc2ccccc21 ZINC000219571288 136204254 /nfs/dbraw/zinc/20/42/54/136204254.db2.gz NBBWHQHURHECBM-HXUWFJFHSA-N 0 0 382.504 3.812 40 0 GHABRN Cc1ccc(N2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000219853474 136204366 /nfs/dbraw/zinc/20/43/66/136204366.db2.gz GKZYXUXVINWZLN-UHFFFAOYSA-N 0 0 381.495 3.699 40 0 GHABRN Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1N1CCCCS1(=O)=O ZINC000222574336 136204815 /nfs/dbraw/zinc/20/48/15/136204815.db2.gz DTYHXDYWHVGKED-HXUWFJFHSA-N 0 0 398.528 3.732 40 0 GHABRN CCCN1c2ccc(C(=O)Nc3c(F)cccc3F)cc2S(=O)(=O)N=C1C ZINC000223112048 136205684 /nfs/dbraw/zinc/20/56/84/136205684.db2.gz YUHSDFNTYYVKNS-UHFFFAOYSA-N 0 0 393.415 3.554 40 0 GHABRN Cc1ccc(N2C(SCc3ccccc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 ZINC000032640601 221725593 /nfs/dbraw/zinc/72/55/93/221725593.db2.gz LDDNTKXJECLREG-PKOBYXMFSA-N 0 0 386.542 3.578 40 0 GHABRN O=C(Cn1nc(C(F)(F)F)c(Br)c1C1CC1)Nc1ccccn1 ZINC000027936987 221663728 /nfs/dbraw/zinc/66/37/28/221663728.db2.gz LTCRWZZLDHTUJS-UHFFFAOYSA-N 0 0 389.175 3.576 40 0 GHABRN COc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 ZINC000030865775 221706370 /nfs/dbraw/zinc/70/63/70/221706370.db2.gz ASFPHPMCECJQAC-OAHLLOKOSA-N 0 0 394.427 3.624 40 0 GHABRN Cc1ccc2c(c1)nc(-c1ccc(F)cc1)nc2SCC(=O)N1CCOCC1 ZINC000035311606 221816441 /nfs/dbraw/zinc/81/64/41/221816441.db2.gz DFEAVRQLALAVRG-UHFFFAOYSA-N 0 0 397.475 3.695 40 0 GHABRN O=C(NCc1ccccc1F)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000036351003 221853338 /nfs/dbraw/zinc/85/33/38/221853338.db2.gz AZISYNPZKTYYAU-UHFFFAOYSA-N 0 0 384.432 3.557 40 0 GHABRN CCOc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1 ZINC000044903865 221956974 /nfs/dbraw/zinc/95/69/74/221956974.db2.gz BVSABBYBHDHCMZ-GFCCVEGCSA-N 0 0 396.896 3.601 40 0 GHABRN COc1ccc(CSCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000044901173 221957121 /nfs/dbraw/zinc/95/71/21/221957121.db2.gz NFPORIYQBVYHNF-AWEZNQCLSA-N 0 0 375.490 3.823 40 0 GHABRN CCN1c2ccccc2[C@@]2(SCC(=O)N2c2ccc(F)c(Cl)c2)C1=O ZINC000055174915 222015968 /nfs/dbraw/zinc/01/59/68/222015968.db2.gz FSOZGHKYGHAKKO-GOSISDBHSA-N 0 0 376.840 3.778 40 0 GHABRN O=C(c1ccncc1)N1CCC(c2nc3ccc(Nc4ccccc4)cn3n2)CC1 ZINC000063527486 222067200 /nfs/dbraw/zinc/06/72/00/222067200.db2.gz UELRKWILVSDTKD-UHFFFAOYSA-N 0 0 398.470 3.888 40 0 GHABRN CC(C)c1ccc(-c2noc(CN(C)S(=O)(=O)c3cccs3)n2)cc1 ZINC000067768045 222159017 /nfs/dbraw/zinc/15/90/17/222159017.db2.gz YJFHVZQKLNDQFA-UHFFFAOYSA-N 0 0 377.491 3.742 40 0 GHABRN COC(=O)c1ccccc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000067976256 222170725 /nfs/dbraw/zinc/17/07/25/222170725.db2.gz HBEUFBMTRQETHH-UHFFFAOYSA-N 0 0 385.807 3.748 40 0 GHABRN CCCN1CCN(C(=O)C2CCC2)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000072351850 222238081 /nfs/dbraw/zinc/23/80/81/222238081.db2.gz SFRPNZMQYQSASC-QFIPXVFZSA-N 0 0 391.515 3.541 40 0 GHABRN COc1cccc(-c2cncc([C@@H]3CCCN(C(=O)c4scnc4C)C3)n2)c1 ZINC000072359710 222238976 /nfs/dbraw/zinc/23/89/76/222238976.db2.gz QJXQMCMNHVYINW-MRXNPFEDSA-N 0 0 394.500 3.937 40 0 GHABRN O=C(c1cnccn1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359526 222239506 /nfs/dbraw/zinc/23/95/06/222239506.db2.gz MDHBJAZTVIMNPC-OAHLLOKOSA-N 0 0 379.851 3.607 40 0 GHABRN Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(CC(=O)N(C)C)C2)n1 ZINC000072356133 222239610 /nfs/dbraw/zinc/23/96/10/222239610.db2.gz RCKUUNRFVIFISS-LJQANCHMSA-N 0 0 385.939 3.902 40 0 GHABRN Cc1cnc(C(=O)N2CCC[C@H](c3nccnc3Oc3cccc(F)c3)C2)cn1 ZINC000072362497 222240489 /nfs/dbraw/zinc/24/04/89/222240489.db2.gz OQYLEQPRMTVTOG-HNNXBMFYSA-N 0 0 393.422 3.526 40 0 GHABRN Cc1cnc(C(=O)N2CCC(c3cncc(Oc4cccc(F)c4)n3)CC2)cn1 ZINC000072362509 222240865 /nfs/dbraw/zinc/24/08/65/222240865.db2.gz LKILRBIPJONBMD-UHFFFAOYSA-N 0 0 393.422 3.526 40 0 GHABRN O=C(c1cscn1)N1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000072362633 222241186 /nfs/dbraw/zinc/24/11/86/222241186.db2.gz NESOORTYTCBBHZ-CYBMUJFWSA-N 0 0 384.436 3.884 40 0 GHABRN COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378484 222244047 /nfs/dbraw/zinc/24/40/47/222244047.db2.gz XWXIBMPYTQEIMK-IBGZPJMESA-N 0 0 390.487 3.615 40 0 GHABRN Cc1ncsc1C(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccc(F)cc1 ZINC000072377128 222244227 /nfs/dbraw/zinc/24/42/27/222244227.db2.gz ZOIXZUPCNFYUKL-INIZCTEOSA-N 0 0 397.479 3.997 40 0 GHABRN O=C(c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccnc(Nc2cnccn2)n1 ZINC000072377546 222245371 /nfs/dbraw/zinc/24/53/71/222245371.db2.gz XITXDTALGAPOKQ-MRXNPFEDSA-N 0 0 380.839 3.641 40 0 GHABRN CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000072378855 222245445 /nfs/dbraw/zinc/24/54/45/222245445.db2.gz SXAHWHVYLPQJGQ-QGZVFWFLSA-N 0 0 378.451 3.989 40 0 GHABRN O=C(c1ccncc1)N1CCC[C@H]1c1cc(CCOc2ccccc2F)n[nH]1 ZINC000072378323 222245743 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Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000013583219 221275853 /nfs/dbraw/zinc/27/58/53/221275853.db2.gz XIKLQLNXDQGTLB-UHFFFAOYSA-N 0 0 386.395 3.516 40 0 GHABRN Cc1cccc(-n2nc3[nH]cc4c(c-3c2=O)C[C@H](c2cccs2)CC4=O)c1 ZINC000013611293 221276747 /nfs/dbraw/zinc/27/67/47/221276747.db2.gz NRFNKVHPWJNNSE-ZDUSSCGKSA-N 0 0 375.453 3.996 40 0 GHABRN O=c1c2c3c(c[nH]c-2nn1-c1ccccc1)C(=O)C[C@H](c1cc(F)cc(F)c1)C3 ZINC000013611281 221277039 /nfs/dbraw/zinc/27/70/39/221277039.db2.gz ZEXISUMBIXWEDO-CYBMUJFWSA-N 0 0 391.377 3.905 40 0 GHABRN CSc1nc2nc(C(C)C)c(-c3ccc(Br)cc3)c(N)n2n1 ZINC000013638161 221278418 /nfs/dbraw/zinc/27/84/18/221278418.db2.gz SXALSTZGMKRUHM-UHFFFAOYSA-N 0 0 378.299 3.981 40 0 GHABRN CCOc1ccc(S(=O)(=O)NCCCc2cccc(OC(C)C)c2)cc1 ZINC000013632268 221278647 /nfs/dbraw/zinc/27/86/47/221278647.db2.gz CYCWSUXQXHIABE-UHFFFAOYSA-N 0 0 377.506 3.784 40 0 GHABRN CCOc1ccc2[nH]c(=O)c(CNc3ccc(C(=O)N4CCCC4)cc3)cc2c1 ZINC000013561296 221272798 /nfs/dbraw/zinc/27/27/98/221272798.db2.gz AFRPHKCNXZGCQH-UHFFFAOYSA-N 0 0 391.471 3.775 40 0 GHABRN CC[C@H](C(=O)Nc1ccc(F)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714394 221282826 /nfs/dbraw/zinc/28/28/26/221282826.db2.gz NDTVCVRFDQMDKQ-MRXNPFEDSA-N 0 0 384.860 3.662 40 0 GHABRN CC[C@H](C(=O)NCc1ccccc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713608 221282830 /nfs/dbraw/zinc/28/28/30/221282830.db2.gz LIQWYWFVBRXOFS-GOSISDBHSA-N 0 0 394.924 3.509 40 0 GHABRN CC[C@@H](C(=O)Nc1cccc(Cl)c1C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715434 221282876 /nfs/dbraw/zinc/28/28/76/221282876.db2.gz PNDWBQCSKKHCRW-KRWDZBQOSA-N 0 0 398.887 3.971 40 0 GHABRN CC[C@H](C(=O)Nc1cc(Cl)ccc1C)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715428 221283001 /nfs/dbraw/zinc/28/30/01/221283001.db2.gz SCZLCBAXKWQYRV-QGZVFWFLSA-N 0 0 398.887 3.971 40 0 GHABRN CC[C@@H](C(=O)NC1CCCCCC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716461 221283224 /nfs/dbraw/zinc/28/32/24/221283224.db2.gz ZHCXCFDAIUFUFD-IBGZPJMESA-N 0 0 380.554 3.687 40 0 GHABRN CC[C@@H](C(=O)Nc1cc(Cl)ccc1OC)N(c1ccccc1)S(C)(=O)=O ZINC000013711243 221283253 /nfs/dbraw/zinc/28/32/53/221283253.db2.gz XXCRDRYZFWZKCQ-INIZCTEOSA-N 0 0 396.896 3.532 40 0 GHABRN CC[C@@H](C(=O)Nc1ccccc1F)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714392 221283378 /nfs/dbraw/zinc/28/33/78/221283378.db2.gz QIGLJFXLSWQOPV-INIZCTEOSA-N 0 0 384.860 3.662 40 0 GHABRN CC[C@H](C(=O)Nc1cccc(C)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711925 221283463 /nfs/dbraw/zinc/28/34/63/221283463.db2.gz UKMIWAYGDDBAIM-QGZVFWFLSA-N 0 0 380.897 3.832 40 0 GHABRN CC[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716666 221284345 /nfs/dbraw/zinc/28/43/45/221284345.db2.gz AEWRSSFPYKNXOF-SFHVURJKSA-N 0 0 396.459 3.765 40 0 GHABRN CCn1c2cc3c(cc2sc1=NC(=O)Cc1ccc(C)c(C)c1)OCCO3 ZINC000013962995 221294835 /nfs/dbraw/zinc/29/48/35/221294835.db2.gz ULFWNTCWLNGGIL-QURGRASLSA-N 0 0 382.485 3.781 40 0 GHABRN CCNC(=O)NC1=Nc2ccccc2N=C(C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000014608051 221313804 /nfs/dbraw/zinc/31/38/04/221313804.db2.gz BKNPSSZGQJLAQP-LJQANCHMSA-N 0 0 380.448 3.943 40 0 GHABRN Cc1ccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000015398233 221335318 /nfs/dbraw/zinc/33/53/18/221335318.db2.gz FIHGOCZPZCHLSP-UHFFFAOYSA-N 0 0 398.459 3.968 40 0 GHABRN COc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3cccs3)n2)cc1 ZINC000015675699 221338333 /nfs/dbraw/zinc/33/83/33/221338333.db2.gz RIAJBXSMUWAGDP-SFHVURJKSA-N 0 0 393.472 3.829 40 0 biogenic,in-vitro GHABRN COc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3ccccc3)n2)cc1 ZINC000015675686 221338400 /nfs/dbraw/zinc/33/84/00/221338400.db2.gz FMZRMBOYCVZJRH-FQEVSTJZSA-N 0 0 387.443 3.768 40 0 biogenic,in-vitro GHABRN COc1ccc(C(=O)OCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c(OC)c1 ZINC000016035536 221356593 /nfs/dbraw/zinc/35/65/93/221356593.db2.gz ZJTFDDXVSYNOGE-OGWOLHLISA-N 0 0 378.465 3.865 40 0 GHABRN Cc1ccc([C@@H](C)C(=O)N2CCC(n3nc4c(cc3=O)CCCCC4)CC2)cc1 ZINC000019135869 221399439 /nfs/dbraw/zinc/39/94/39/221399439.db2.gz SFMWJETZXURFHF-GOSISDBHSA-N 0 0 393.531 3.788 40 0 GHABRN Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 ZINC000018013854 221385895 /nfs/dbraw/zinc/38/58/95/221385895.db2.gz KXOUNRCFYALXKY-QGZVFWFLSA-N 0 0 386.517 3.579 40 0 GHABRN CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C(=O)c1ccccn1 ZINC000019017516 221393409 /nfs/dbraw/zinc/39/34/09/221393409.db2.gz YULVMFQYRPVYNN-NNWRFLSQSA-N 0 0 395.478 3.620 40 0 GHABRN Cc1cc(-c2cccs2)nc([C@@H]2CCCN(C(=O)c3ccc(C)[nH]c3=O)C2)n1 ZINC000019131445 221397837 /nfs/dbraw/zinc/39/78/37/221397837.db2.gz QKAMDDMZTDGFPD-OAHLLOKOSA-N 0 0 394.500 3.530 40 0 GHABRN Cc1nc2nc(C(=O)N[C@H](C)c3nc4ccccc4s3)cc(C(C)(C)C)n2n1 ZINC000019286775 221403143 /nfs/dbraw/zinc/40/31/43/221403143.db2.gz YFTKCLKFJGMTLY-LLVKDONJSA-N 0 0 394.504 3.831 40 0 GHABRN NC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)C2CCCCC2)C1 ZINC000019333485 221408248 /nfs/dbraw/zinc/40/82/48/221408248.db2.gz PLFBLYUJZREJBU-DEOSSOPVSA-N 0 0 391.515 3.575 40 0 GHABRN COc1ccc(-c2nc(NC(=O)c3ccc4oc(=O)[nH]c4c3)sc2C)cc1 ZINC000019555599 221426755 /nfs/dbraw/zinc/42/67/55/221426755.db2.gz WUXIEWOKRJBRIX-UHFFFAOYSA-N 0 0 381.413 3.814 40 0 GHABRN COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[C@H](COc3ccccc3F)C1)CO2 ZINC000019562342 221427648 /nfs/dbraw/zinc/42/76/48/221427648.db2.gz DQWFAYVBXNENKH-FUHWJXTLSA-N 0 0 399.462 3.703 40 0 GHABRN CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3cnc(C)nc3)cc2n1 ZINC000019522353 221418465 /nfs/dbraw/zinc/41/84/65/221418465.db2.gz VHZGMIZAINPOMD-INIZCTEOSA-N 0 0 390.413 3.746 40 0 GHABRN O=C(c1ccc2c(c1)ncn2C1CC1)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000019663088 221438193 /nfs/dbraw/zinc/43/81/93/221438193.db2.gz QTPSZWWKTGUJCD-LJQANCHMSA-N 0 0 376.460 3.588 40 0 GHABRN CC(C)(C)c1csc(CCNC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)n1 ZINC000019660917 221438607 /nfs/dbraw/zinc/43/86/07/221438607.db2.gz ONCILHIHHGZUTE-HXUWFJFHSA-N 0 0 389.496 3.822 40 0 GHABRN O=C(NCc1ccccc1N1CCCC1)C1(c2ccccc2F)CCOCC1 ZINC000019662222 221438676 /nfs/dbraw/zinc/43/86/76/221438676.db2.gz CEVSUOZPJDLYRT-UHFFFAOYSA-N 0 0 382.479 3.791 40 0 GHABRN COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)C(C)C)cc1 ZINC000019694405 221441093 /nfs/dbraw/zinc/44/10/93/221441093.db2.gz HEIIPTQENZDCNP-IBGZPJMESA-N 0 0 382.508 3.928 40 0 GHABRN CCc1nnc2n1C[C@H](c1ccc(NC(=O)c3sc(C)nc3C)cc1)CC2 ZINC000019698994 221441631 /nfs/dbraw/zinc/44/16/31/221441631.db2.gz PSJFLVVNCGIYOY-OAHLLOKOSA-N 0 0 381.505 3.896 40 0 GHABRN CNC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2cnc(C)s2)CCO1 ZINC000019697559 221442264 /nfs/dbraw/zinc/44/22/64/221442264.db2.gz VRIQGCBHWJJHJT-HNNXBMFYSA-N 0 0 387.530 3.599 40 0 GHABRN COc1cccc2cc(C(=O)N3CC[C@](O)(c4ccc(C)cc4)C3)c(C)nc21 ZINC000019715222 221445217 /nfs/dbraw/zinc/44/52/17/221445217.db2.gz FMKHUUBDUKRVGM-HSZRJFAPSA-N 0 0 376.456 3.594 40 0 GHABRN COCCCOc1ccc2nc(NC(=O)C(C)(C)Br)sc2c1 ZINC000020133245 221472434 /nfs/dbraw/zinc/47/24/34/221472434.db2.gz OBPLESSMWMHAJI-UHFFFAOYSA-N 0 0 387.299 3.824 40 0 GHABRN COc1ccc(S[C@H](C)C(=O)NCCOc2ccc(C)cc2)cc1OC ZINC000020462574 221491221 /nfs/dbraw/zinc/49/12/21/221491221.db2.gz RMIWILSUDCOSIL-OAHLLOKOSA-N 0 0 375.490 3.688 40 0 GHABRN COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)ccc1OCc1ccc(C)cc1 ZINC000409031085 533470179 /nfs/dbraw/zinc/47/01/79/533470179.db2.gz GNRHHHQHVSXHDH-BOPFTXTBSA-N 0 0 382.485 3.612 40 0 GHABRN COc1cccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)c1 ZINC000408704797 533596735 /nfs/dbraw/zinc/59/67/35/533596735.db2.gz SYVVLMDGALUOEY-UHFFFAOYSA-N 0 0 396.468 3.776 40 0 GHABRN O=C(CN1CCC(c2ccncc2)CC1)Nc1ccc(N2CCCCC2)cc1 ZINC000072346588 136168697 /nfs/dbraw/zinc/16/86/97/136168697.db2.gz PHYJSVDRNXLIKW-UHFFFAOYSA-N 0 0 378.520 3.890 40 0 GHABRN Cc1ccc([C@H](c2nnnn2C(C)C)N2CCN(c3ccccc3F)CC2)cc1 ZINC000020140431 136202536 /nfs/dbraw/zinc/20/25/36/136202536.db2.gz SIEBBIGVFWPFEI-OAQYLSRUSA-N 0 0 394.498 3.613 40 0 GHABRN Cc1ccc(-c2noc(CNC(=O)C3CCN(c4ccc(C)cc4)CC3)n2)cc1 ZINC000219865967 136204380 /nfs/dbraw/zinc/20/43/80/136204380.db2.gz VDVRWKPRPVQAGL-UHFFFAOYSA-N 0 0 390.487 3.886 40 0 GHABRN CN(Cc1cccc(Cl)c1)C(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000224510795 136207114 /nfs/dbraw/zinc/20/71/14/136207114.db2.gz USMSTKRHJITWNJ-UHFFFAOYSA-N 0 0 392.908 3.542 40 0 GHABRN CN(Cc1ccccc1Cl)C(=O)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000224510720 136207118 /nfs/dbraw/zinc/20/71/18/136207118.db2.gz SGOAIBOOLJFZOT-UHFFFAOYSA-N 0 0 392.908 3.542 40 0 GHABRN CCN(Cc1nc(-c2ccccc2)no1)C(=O)/C=C/c1ccc(OC)cc1OC ZINC000028218470 221670316 /nfs/dbraw/zinc/67/03/16/221670316.db2.gz RFHZKRMUNMVQSG-ACCUITESSA-N 0 0 393.443 3.816 40 0 GHABRN CCN(Cc1nonc1C)C(=O)c1ccc(COc2ccccc2Cl)o1 ZINC000028235217 221671050 /nfs/dbraw/zinc/67/10/50/221671050.db2.gz DJFQHNVOJYFWHD-UHFFFAOYSA-N 0 0 375.812 3.866 40 0 GHABRN CCN(Cc1nonc1C)C(=O)c1ccc(COc2ccc(Cl)cc2)o1 ZINC000028235027 221671101 /nfs/dbraw/zinc/67/11/01/221671101.db2.gz OXENJFVBMXCZRH-UHFFFAOYSA-N 0 0 375.812 3.866 40 0 GHABRN CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc1Cl ZINC000030753793 221703170 /nfs/dbraw/zinc/70/31/70/221703170.db2.gz ULDZRWQBRCUBSQ-GFCCVEGCSA-N 0 0 377.824 3.931 40 0 GHABRN Cc1cccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCC3)c1 ZINC000032125138 221720635 /nfs/dbraw/zinc/72/06/35/221720635.db2.gz SJFLBTZDRQTUMV-UHFFFAOYSA-N 0 0 387.530 3.551 40 0 GHABRN COc1ccc(C(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)cc1OC ZINC000032609674 221724830 /nfs/dbraw/zinc/72/48/30/221724830.db2.gz KVURVDZNYJESHR-UHFFFAOYSA-N 0 0 389.814 3.993 40 0 GHABRN CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)N3CCc4ccccc4C3)nnc12 ZINC000035289962 221815455 /nfs/dbraw/zinc/81/54/55/221815455.db2.gz MPWNLPHXDUWSFK-ZHRRBRCNSA-N 0 0 394.544 3.724 40 0 GHABRN O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)c1ccncc1 ZINC000035314923 221818200 /nfs/dbraw/zinc/81/82/00/221818200.db2.gz ULORIOBEFSSGNR-UHFFFAOYSA-N 0 0 376.435 3.800 40 0 GHABRN COc1ccc(-n2cnc3c(C(=O)c4ccccc4)n4ccccc4c3c2=O)cc1 ZINC000041105043 221938592 /nfs/dbraw/zinc/93/85/92/221938592.db2.gz JOOSFCVUAXIFQH-UHFFFAOYSA-N 0 0 395.418 3.878 40 0 GHABRN CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)c(Cl)c1 ZINC000044883578 221955596 /nfs/dbraw/zinc/95/55/96/221955596.db2.gz WAFNSTMVTQINGU-LBPRGKRZSA-N 0 0 377.824 3.931 40 0 GHABRN CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1OCC ZINC000051529140 222007006 /nfs/dbraw/zinc/00/70/06/222007006.db2.gz UMEREFKSOWEMJK-UHFFFAOYSA-N 0 0 382.460 3.972 40 0 GHABRN CN(Cc1cc(CC2(NCc3ccccc3F)COC2)no1)Cc1ccccc1 ZINC000067898112 222166944 /nfs/dbraw/zinc/16/69/44/222166944.db2.gz XCUHTXVSDROBMW-UHFFFAOYSA-N 0 0 395.478 3.547 40 0 biogenic,in-vitro GHABRN CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 ZINC000071280886 222178060 /nfs/dbraw/zinc/17/80/60/222178060.db2.gz IXYSNJPFISXRPY-UWVAXJGDSA-N 0 0 384.520 3.633 40 0 GHABRN CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2 ZINC000071280890 222178651 /nfs/dbraw/zinc/17/86/51/222178651.db2.gz IXYSNJPFISXRPY-FUHIMQAGSA-N 0 0 384.520 3.633 40 0 GHABRN Cc1cc(C(=O)N2CCC[C@@H](c3nc(C)ncc3-c3ccncc3)C2)c(C)[nH]1 ZINC000072334731 222230666 /nfs/dbraw/zinc/23/06/66/222230666.db2.gz PDIXPPBFPGYMLU-GOSISDBHSA-N 0 0 375.476 3.812 40 0 GHABRN O=C(Cc1cccnc1)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358821 222239521 /nfs/dbraw/zinc/23/95/21/222239521.db2.gz UFWGXTNMBSAMQU-GOSISDBHSA-N 0 0 376.435 3.626 40 0 GHABRN O=C(c1cccnc1)N1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000072362074 222240711 /nfs/dbraw/zinc/24/07/11/222240711.db2.gz RULOREIBUIOPFE-INIZCTEOSA-N 0 0 378.407 3.823 40 0 GHABRN COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4coc(C)n4)C3)n2)c1 ZINC000072363265 222241214 /nfs/dbraw/zinc/24/12/14/222241214.db2.gz ZAOREDIZQKEGQG-OAHLLOKOSA-N 0 0 394.431 3.594 40 0 GHABRN Cn1ccc(C(=O)N2CCC(c3nccnc3Oc3ccc(Cl)cc3)CC2)n1 ZINC000072362758 222241436 /nfs/dbraw/zinc/24/14/36/222241436.db2.gz ZYLLXHQHKLKBGB-UHFFFAOYSA-N 0 0 397.866 3.676 40 0 GHABRN Cc1nn(C)cc1C(=O)N1CCC[C@H](c2cncc(Oc3ccccc3C)n2)C1 ZINC000072362601 222241558 /nfs/dbraw/zinc/24/15/58/222241558.db2.gz FOSPAKHLHQZBOC-KRWDZBQOSA-N 0 0 391.475 3.639 40 0 GHABRN Cc1cc(Oc2ccccc2C)nc([C@H]2CCCN2C(=O)c2nccn2C)n1 ZINC000072384420 222246883 /nfs/dbraw/zinc/24/68/83/222246883.db2.gz RJKBGKKJSOTABM-MRXNPFEDSA-N 0 0 377.448 3.597 40 0 GHABRN Cc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)cc1Br ZINC000072414428 222257551 /nfs/dbraw/zinc/25/75/51/222257551.db2.gz RUYHFBNLHGYZNL-UHFFFAOYSA-N 0 0 393.306 3.517 40 0 GHABRN CN(C)C(=O)C[C@H]1CC2(CCN(Cc3nccs3)CC2)Oc2ccccc21 ZINC000096053152 222374205 /nfs/dbraw/zinc/37/42/05/222374205.db2.gz YMHOBWZORXYZFG-INIZCTEOSA-N 0 0 385.533 3.522 40 0 GHABRN O=C(Nc1ccc(F)cc1F)N1C[C@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 ZINC000096112396 222382355 /nfs/dbraw/zinc/38/23/55/222382355.db2.gz NUPMBGSZISUCBZ-GUYCJALGSA-N 0 0 390.365 3.612 40 0 biogenic,in-vitro GHABRN COCCNC(=O)c1cnc(-c2noc3cc(-c4ccccc4)ccc32)s1 ZINC000096154510 222391196 /nfs/dbraw/zinc/39/11/96/222391196.db2.gz WMJNVJLZRATZQG-UHFFFAOYSA-N 0 0 379.441 3.995 40 0 GHABRN c1csc(CN2CCC[C@@H]2c2nnn3cc(NCc4cccnc4)ccc23)n1 ZINC000096156574 222393037 /nfs/dbraw/zinc/39/30/37/222393037.db2.gz JIBXUIDREFOMSS-QGZVFWFLSA-N 0 0 391.504 3.530 40 0 GHABRN O=S(=O)(c1ccccc1)N1CC[C@]2(CCCN2Cc2cccc(Cl)c2)C1 ZINC000096203086 222398416 /nfs/dbraw/zinc/39/84/16/222398416.db2.gz QLQIXQDMAHSEJY-HXUWFJFHSA-N 0 0 390.936 3.769 40 0 GHABRN COc1cccc(-c2nn3c([nH]c(CCc4c(C)n[nH]c4C)cc3=O)c2C)c1 ZINC000100775740 222463316 /nfs/dbraw/zinc/46/33/16/222463316.db2.gz GMYNUYYGKLZTFF-UHFFFAOYSA-N 0 0 377.448 3.544 40 0 GHABRN CC[C@H](C)NC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 ZINC000113966094 222521999 /nfs/dbraw/zinc/52/19/99/222521999.db2.gz SCYGPUPXCBHMGD-KRWDZBQOSA-N 0 0 388.533 3.798 40 0 GHABRN CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000175956577 222562251 /nfs/dbraw/zinc/56/22/51/222562251.db2.gz YQPSFKOBDRGUTN-GUYCJALGSA-N 0 0 395.908 3.778 40 0 GHABRN COc1ccc(N([C@H](C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1 ZINC000409121606 533987327 /nfs/dbraw/zinc/98/73/27/533987327.db2.gz WZQDCSJSCZQSBK-OAHLLOKOSA-N 0 0 390.505 3.612 40 0 GHABRN C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000047081074 534000115 /nfs/dbraw/zinc/00/01/15/534000115.db2.gz NVVYHMJLWTWAGW-SJLPKXTDSA-N 0 0 398.528 3.856 40 0 GHABRN CC[C@@H](C(=O)Nc1ccccc1Cl)N(c1ccccc1F)S(C)(=O)=O ZINC000220585631 517752773 /nfs/dbraw/zinc/75/27/73/517752773.db2.gz SROUEJSKDLCQFS-HNNXBMFYSA-N 0 0 384.860 3.662 40 0 GHABRN O=C(Nc1cccc(Cl)c1)[C@@H]1CSCN1C(=O)OCc1ccccc1 ZINC000408736412 534346878 /nfs/dbraw/zinc/34/68/78/534346878.db2.gz BWDYJBQTNSSOQW-INIZCTEOSA-N 0 0 376.865 3.990 40 0 GHABRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000307646010 526394244 /nfs/dbraw/zinc/39/42/44/526394244.db2.gz AYPFRNSJUQMLMY-HNNXBMFYSA-N 0 0 384.423 3.805 40 0 GHABRN CC(C)C1=C[C@@](O)(C(F)(F)F)N(C(=O)c2cccc(Br)c2)N1 ZINC000409066184 527626188 /nfs/dbraw/zinc/62/61/88/527626188.db2.gz HKYDAICOAGLYNF-CYBMUJFWSA-N 0 0 379.176 3.558 40 0 GHABRN CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1cccc(C(=O)NCc3ccccc3)c1)C2=O ZINC000408722380 527895695 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CCOc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1Br ZINC000408622621 528407129 /nfs/dbraw/zinc/40/71/29/528407129.db2.gz PSHSIABVPXKMIX-UHFFFAOYSA-N 0 0 376.210 3.682 40 0 GHABRN CCC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1ccncc1)N2 ZINC000409352397 528595671 /nfs/dbraw/zinc/59/56/71/528595671.db2.gz YSDQEZCFTNNIMK-HBUWYVDXSA-N 0 0 383.414 3.997 40 0 GHABRN CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000019717129 528609389 /nfs/dbraw/zinc/60/93/89/528609389.db2.gz BVEOBAROJTXDFP-JOCHJYFZSA-N 0 0 380.488 3.899 40 0 GHABRN CCCOc1ccc(N2C[C@H](C(=O)NCCCCc3ccccc3)CC2=O)cc1 ZINC000408707861 528696040 /nfs/dbraw/zinc/69/60/40/528696040.db2.gz MGUZLMYOTIVYIM-HXUWFJFHSA-N 0 0 394.515 3.967 40 0 GHABRN CCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1 ZINC000408987351 528721430 /nfs/dbraw/zinc/72/14/30/528721430.db2.gz WQVIDKTZXOTMRR-IBGZPJMESA-N 0 0 381.501 3.907 40 0 GHABRN O=C([O-])C[C@@H]1CC[N@H+](Cc2cccc(F)c2)C[C@@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000514288633 560034277 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0 385.414 3.525 40 0 GHABRN Cc1cccc(-c2c3c(nc4nc(N5CCCCC5)[nH]c(=O)c42)CCCC3=O)c1 ZINC000019820060 570222435 /nfs/dbraw/zinc/22/24/35/570222435.db2.gz SKJUNQZTDLVLMI-UHFFFAOYSA-N 0 0 388.471 3.803 40 0 GHABRN CC(C)CNC(=O)C[C@H]1CC2(CCN(C(=O)CC3CC3)CC2)Oc2ccccc21 ZINC000096243342 570223202 /nfs/dbraw/zinc/22/32/02/570223202.db2.gz XBVLNIRDVMVKSN-IBGZPJMESA-N 0 0 398.547 3.876 40 0 GHABRN CC(C)NC(=O)N1CCC[C@H]1c1nnn2cc(NCc3ccccc3)ccc12 ZINC000096267935 570227623 /nfs/dbraw/zinc/22/76/23/570227623.db2.gz CRTOJYSIYVHKAO-SFHVURJKSA-N 0 0 378.480 3.596 40 0 GHABRN Cn1c2ccc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2oc1=O ZINC000019936576 570231639 /nfs/dbraw/zinc/23/16/39/570231639.db2.gz LISAQNXUVYXOMW-UHFFFAOYSA-N 0 0 396.424 3.725 40 0 GHABRN O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1c(F)cccc1F ZINC000019937629 570232166 /nfs/dbraw/zinc/23/21/66/570232166.db2.gz BVYOLNFSRIGQGF-UHFFFAOYSA-N 0 0 375.762 3.550 40 0 GHABRN Cc1ccc(-n2ccc3nc(N4CCc5ccccc5C4)ncc3c2=O)c(C)c1 ZINC000019959055 570233476 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/nfs/dbraw/zinc/29/49/63/570294963.db2.gz OIZAPKBVWGCSHY-UHFFFAOYSA-N 0 0 398.488 3.837 40 0 GHABRN COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000003386727 570299967 /nfs/dbraw/zinc/29/99/67/570299967.db2.gz KOHFXNIPMFKJQQ-UHFFFAOYSA-N 0 0 384.215 3.806 40 0 GHABRN COc1cccc(O[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 ZINC000216422470 570301347 /nfs/dbraw/zinc/30/13/47/570301347.db2.gz YEXYIUJSQKEXSY-INIZCTEOSA-N 0 0 388.895 3.773 40 0 GHABRN CCn1cc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c(=O)c2cc(C)ccc21 ZINC000022234775 570308835 /nfs/dbraw/zinc/30/88/35/570308835.db2.gz JVEUWTDLOKWVPH-HNNXBMFYSA-N 0 0 394.471 3.838 40 0 GHABRN Cn1cc(C(=O)Nc2ccc(Br)cc2F)c(=O)c2cc(F)ccc21 ZINC000022236303 570309202 /nfs/dbraw/zinc/30/92/02/570309202.db2.gz SFGYWHXXJNYFEK-UHFFFAOYSA-N 0 0 393.187 3.832 40 0 GHABRN N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 ZINC000072227279 570318870 /nfs/dbraw/zinc/31/88/70/570318870.db2.gz RNIIVAGDINZTNI-KBPBESRZSA-N 0 0 396.082 3.627 40 0 GHABRN 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/nfs/dbraw/zinc/23/80/71/222238071.db2.gz RLODVFVTRZCVCK-HNNXBMFYSA-N 0 0 394.504 3.708 40 0 GHABRN O=C(CC1CCCC1)N1CCN(c2ccccc2)C[C@H](Cc2cnccn2)C1 ZINC000072353566 222238213 /nfs/dbraw/zinc/23/82/13/222238213.db2.gz FNHUYFTXYOSLAT-FQEVSTJZSA-N 0 0 378.520 3.564 40 0 GHABRN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)c2cccnc2)n1 ZINC000072354729 222238335 /nfs/dbraw/zinc/23/83/35/222238335.db2.gz WPEDZFSEFISLFV-KRWDZBQOSA-N 0 0 379.851 3.752 40 0 GHABRN O=C(c1cscn1)N1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000072362632 222240482 /nfs/dbraw/zinc/24/04/82/222240482.db2.gz CVUKMZNLPGJYSP-ZDUSSCGKSA-N 0 0 384.436 3.884 40 0 GHABRN Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2C(=O)c2cccnc2)n1 ZINC000072376945 222245562 /nfs/dbraw/zinc/24/55/62/222245562.db2.gz AAKVTVRTFBBALA-SFHVURJKSA-N 0 0 377.423 3.627 40 0 GHABRN CCc1cc(C(=O)N2CCC[C@H](c3nccnc3Oc3cccnc3C)C2)on1 ZINC000072384332 222247334 /nfs/dbraw/zinc/24/73/34/222247334.db2.gz WNCKZIBXJLNQAC-HNNXBMFYSA-N 0 0 393.447 3.543 40 0 GHABRN CC(C)CC(=O)N1CC[C@](Cc2ccccc2-c2ccccc2F)(C(N)=O)C1 ZINC000072391086 222248017 /nfs/dbraw/zinc/24/80/17/222248017.db2.gz LILOWVRLGBZYOZ-HSZRJFAPSA-N 0 0 382.479 3.785 40 0 GHABRN COc1cccc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c1OC(C)C ZINC000082055909 222306473 /nfs/dbraw/zinc/30/64/73/222306473.db2.gz ZVFRGYBKZFWXPC-BOPFTXTBSA-N 0 0 384.407 3.714 40 0 GHABRN CCCn1cnc(-c2nc(C(=O)NCc3ccccc3OC)c3ccccn32)c1 ZINC000096037976 222374817 /nfs/dbraw/zinc/37/48/17/222374817.db2.gz JULGKMVMSRXFPV-UHFFFAOYSA-N 0 0 389.459 3.546 40 0 GHABRN O=C1[C@@H]2C[C@@H](CN2Cc2nccs2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111794 222381197 /nfs/dbraw/zinc/38/11/97/222381197.db2.gz CZNGUWPYILPGCQ-HKUYNNGSSA-N 0 0 391.496 3.712 40 0 biogenic,in-vitro GHABRN CC(C)CC(=O)N1CCC2(CC1)C[C@H](CC(=O)N1CCCC1)c1ccccc1O2 ZINC000096242965 222403492 /nfs/dbraw/zinc/40/34/92/222403492.db2.gz XXQFCPBXPJRTAU-IBGZPJMESA-N 0 0 398.547 3.973 40 0 GHABRN CCc1ccc(N(CCCC(=O)Nc2ccccc2CC)S(C)(=O)=O)cc1 ZINC000113962052 222520394 /nfs/dbraw/zinc/52/03/94/222520394.db2.gz UJOXCBGEFMUKON-UHFFFAOYSA-N 0 0 388.533 3.996 40 0 GHABRN COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000113895582 222520627 /nfs/dbraw/zinc/52/06/27/222520627.db2.gz YIIZCZGMGWQZFE-UHFFFAOYSA-N 0 0 381.881 3.832 40 0 GHABRN C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCCCC1 ZINC000408736309 533913959 /nfs/dbraw/zinc/91/39/59/533913959.db2.gz AIUOODAILIWIOW-VQIMIIECSA-N 0 0 390.524 3.934 40 0 GHABRN COc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O ZINC000409344513 533952853 /nfs/dbraw/zinc/95/28/53/533952853.db2.gz GTHQAUQOKMOWGS-WQRHYEAKSA-N 0 0 396.468 3.987 40 0 GHABRN COc1ccccc1NC(=O)Cn1nc(COc2cccc(C)c2)oc1=S ZINC000409156197 534175086 /nfs/dbraw/zinc/17/50/86/534175086.db2.gz QZIDVXFWPZCDOV-UHFFFAOYSA-N 0 0 385.445 3.740 40 0 GHABRN O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1)c1ccccc1 ZINC000408641888 534603325 /nfs/dbraw/zinc/60/33/25/534603325.db2.gz DHYRHRKDKBXMMJ-CYBMUJFWSA-N 0 0 392.238 3.772 40 0 GHABRN CC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)COc1ccccc1)N2 ZINC000409085624 526647550 /nfs/dbraw/zinc/64/75/50/526647550.db2.gz DZOWTCIRSRTAIJ-FRIZHTMISA-N 0 0 398.425 3.977 40 0 GHABRN CC(=O)NC(=S)Nc1cc2nn(-c3cccc4ccccc43)nc2cc1C ZINC000008367692 526688122 /nfs/dbraw/zinc/68/81/22/526688122.db2.gz QMFAUTXFYVHYJH-UHFFFAOYSA-N 0 0 375.457 3.715 40 0 GHABRN CC(C)(C)c1ccc(Nc2cc(-c3cccnc3)nc(NCCCO)n2)cc1 ZINC000329023039 526782652 /nfs/dbraw/zinc/78/26/52/526782652.db2.gz OQZKFFXTAXNFIX-UHFFFAOYSA-N 0 0 377.492 3.796 40 0 GHABRN CC(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 ZINC000103718892 527013548 /nfs/dbraw/zinc/01/35/48/527013548.db2.gz ARTLUDBIAKKFKT-AWEZNQCLSA-N 0 0 385.851 3.598 40 0 GHABRN CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(C(C)(C)C)c2C)C1=O ZINC000409017116 527729858 /nfs/dbraw/zinc/72/98/58/527729858.db2.gz FAJPXSNBIVZXJO-QQFZQELXSA-N 0 0 378.494 3.848 40 0 GHABRN CC(C)CCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000006325737 527730309 /nfs/dbraw/zinc/73/03/09/527730309.db2.gz JIAYPGYKYCZHQW-UHFFFAOYSA-N 0 0 394.924 3.698 40 0 GHABRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccnc3)C2=O)cc1 ZINC000409344429 528110545 /nfs/dbraw/zinc/11/05/45/528110545.db2.gz JMUDIEVOUWRUMQ-LICLKQGHSA-N 0 0 381.457 3.880 40 0 GHABRN CC(C)Oc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000408706898 528160236 /nfs/dbraw/zinc/16/02/36/528160236.db2.gz DVRJOIGHXPESSV-INIZCTEOSA-N 0 0 386.879 3.797 40 0 GHABRN CCCCCNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000014399471 528192101 /nfs/dbraw/zinc/19/21/01/528192101.db2.gz DMGCPIQLDASFSE-UHFFFAOYSA-N 0 0 395.352 3.846 40 0 GHABRN CCOc1cc(/C=C2/C(=O)N(C)C(=S)N2C)ccc1OCc1ccccc1 ZINC000409042527 528194469 /nfs/dbraw/zinc/19/44/69/528194469.db2.gz YEHLBGIPUTVICE-ATVHPVEESA-N 0 0 382.485 3.694 40 0 GHABRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)c(Br)cc1OC ZINC000409071556 528196355 /nfs/dbraw/zinc/19/63/55/528196355.db2.gz KCXKQYPAXLGMHI-NTUHNPAUSA-N 0 0 386.267 3.913 40 0 GHABRN CCCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000006649306 528553045 /nfs/dbraw/zinc/55/30/45/528553045.db2.gz PLCNBAMJMLIHND-ACCUITESSA-N 0 0 382.460 3.886 40 0 GHABRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc(O)c(OCC)c1 ZINC000408731525 528617015 /nfs/dbraw/zinc/61/70/15/528617015.db2.gz NLJVHUCMVLYTKL-FQEVSTJZSA-N 0 0 396.443 3.899 40 0 GHABRN CCC[C@@H](C)NS(=O)(=O)c1ccc(OCC)c(NC(=O)c2ccccc2)c1 ZINC000408556362 528899130 /nfs/dbraw/zinc/89/91/30/528899130.db2.gz IBXBCGGUWKSVJE-OAHLLOKOSA-N 0 0 390.505 3.805 40 0 GHABRN CCSc1ccccc1NC(=O)c1ccc(N(CC)S(C)(=O)=O)cc1 ZINC000030847878 529257204 /nfs/dbraw/zinc/25/72/04/529257204.db2.gz XSKOXZIKDRNJJZ-UHFFFAOYSA-N 0 0 378.519 3.837 40 0 GHABRN COc1ccc(NC(=O)N2CC[C@H]3COC(=O)N3c3cc(C)ccc3C2)cc1 ZINC000225488497 560042667 /nfs/dbraw/zinc/04/26/67/560042667.db2.gz UVARZBDTJZMPTK-KRWDZBQOSA-N 0 0 381.432 3.767 40 0 biogenic,in-vitro GHABRN COCCNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccccc3F)n2)cn1 ZINC000035425177 560080234 /nfs/dbraw/zinc/08/02/34/560080234.db2.gz QUTNYSKSSCBBSP-SFHVURJKSA-N 0 0 397.454 3.666 40 0 biogenic,in-vitro GHABRN COCCNc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccc(C)cc2)n1 ZINC000035424921 560080432 /nfs/dbraw/zinc/08/04/32/560080432.db2.gz NMQGBENRRGHKSC-IBGZPJMESA-N 0 0 393.491 3.835 40 0 biogenic,in-vitro GHABRN CCC(=O)N(c1ccccc1)C1(C(=O)OC)CC[NH+](Cc2ccccc2)CC1 ZINC000006661544 560206230 /nfs/dbraw/zinc/20/62/30/560206230.db2.gz QKRGHVDSVANHAD-UHFFFAOYSA-N 0 0 380.488 3.637 40 0 in-vitro GHABRN Cc1nc(CC(=O)N2CCC(CC(=O)N[C@H](C)c3ccccc3)CC2)cs1 ZINC000019748610 570214351 /nfs/dbraw/zinc/21/43/51/570214351.db2.gz MACCZSDZMUIYCZ-OAHLLOKOSA-N 0 0 385.533 3.500 40 0 GHABRN CCOc1ccccc1NC(=O)c1nnc2c(-c3ccc(F)cc3)cnn2c1C ZINC000019817151 570221567 /nfs/dbraw/zinc/22/15/67/570221567.db2.gz CUFKXVAOLFGJFC-UHFFFAOYSA-N 0 0 391.406 3.890 40 0 GHABRN CNC(=O)C[C@@H]1CC2(CCN(C(=O)c3cc(C)oc3C)CC2)c2ccccc21 ZINC000096241920 570222400 /nfs/dbraw/zinc/22/24/00/570222400.db2.gz FXIHWUWREWFRAA-QGZVFWFLSA-N 0 0 380.488 3.694 40 0 GHABRN CNC(=O)C[C@H]1CC2(CCN(C(=O)c3cc(C)oc3C)CC2)c2ccccc21 ZINC000096241919 570222535 /nfs/dbraw/zinc/22/25/35/570222535.db2.gz FXIHWUWREWFRAA-KRWDZBQOSA-N 0 0 380.488 3.694 40 0 GHABRN CC[C@H](Oc1ccc(OC)cc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 ZINC000096251298 570224659 /nfs/dbraw/zinc/22/46/59/570224659.db2.gz ABDYPQRXTCMFPI-IBGZPJMESA-N 0 0 395.459 3.870 40 0 GHABRN Cc1nc(-c2ccc(F)cc2)nc2c1CCN(C(=O)NCc1ccccc1)CC2 ZINC000096254748 570225101 /nfs/dbraw/zinc/22/51/01/570225101.db2.gz SHRNLCNMHWYZPZ-UHFFFAOYSA-N 0 0 390.462 3.902 40 0 GHABRN COCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(F)cc4F)OCC[C@]13C2 ZINC000585261203 570227833 /nfs/dbraw/zinc/22/78/33/570227833.db2.gz HTNRFFVGXWSFCF-ZFTZQBIMSA-N 0 0 393.474 4.000 40 0 GHABRN C[C@]1(O)CCN(C(=O)Cc2cccc(Cl)c2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000585262225 570230190 /nfs/dbraw/zinc/23/01/90/570230190.db2.gz JTERTWGTRULSCG-ICSRJNTNSA-N 0 0 394.298 3.967 40 0 GHABRN Cc1ccc(Cl)cc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000019935613 570231462 /nfs/dbraw/zinc/23/14/62/570231462.db2.gz JTLXOXWRUJRZCI-UHFFFAOYSA-N 0 0 396.871 3.824 40 0 GHABRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Br)cc2)cc1C ZINC000020029904 570235723 /nfs/dbraw/zinc/23/57/23/570235723.db2.gz MLMKZPNMJFNAKW-LBPRGKRZSA-N 0 0 384.295 3.806 40 0 GHABRN CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1C ZINC000020037397 570236568 /nfs/dbraw/zinc/23/65/68/570236568.db2.gz OWOOLLYXUQVGEK-UHFFFAOYSA-N 0 0 380.444 3.546 40 0 GHABRN O=C1CCCc2nc3nc(N4CCCCC4)[nH]c(=O)c3c([C@H]3CC=CCC3)c21 ZINC000020102097 570239244 /nfs/dbraw/zinc/23/92/44/570239244.db2.gz VXIHCNXGHPYKLX-AWEZNQCLSA-N 0 0 378.476 3.651 40 0 GHABRN COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Sc2ccc(OC)cc2)cc1 ZINC000020111234 570241190 /nfs/dbraw/zinc/24/11/90/570241190.db2.gz XQQSFZCCVLDHKQ-GJZGRUSLSA-N 0 0 375.490 3.768 40 0 GHABRN CC1(C)CC[C@H]2CN(S(=O)(=O)c3cccc(OC(F)F)c3)CC[C@@]2(C)O1 ZINC000585286789 570256053 /nfs/dbraw/zinc/25/60/53/570256053.db2.gz UZKPLBVRNMVYIO-SCLBCKFNSA-N 0 0 389.464 3.646 40 0 GHABRN Cc1nn(C)c(C)c1/C=C/C(=O)N1C[C@@H]2C[C@@H](OCc3ccccc3)C[C@@H]2C1 ZINC000585289280 570257216 /nfs/dbraw/zinc/25/72/16/570257216.db2.gz HFLZZTCHNGTADP-HIRSCKEWSA-N 0 0 379.504 3.504 40 0 GHABRN CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)ccc1Cl ZINC000020485479 570262091 /nfs/dbraw/zinc/26/20/91/570262091.db2.gz YRMQQZHYDHQNID-GFCCVEGCSA-N 0 0 377.824 3.931 40 0 GHABRN CC[NH+](CC)CC(C)(C)CN[C@@H](C)c1cc(=O)n2[n-]c(C(C)(C)C)cc2n1 ZINC000100217941 570269133 /nfs/dbraw/zinc/26/91/33/570269133.db2.gz FBVVUPWHNBHARJ-HNNXBMFYSA-N 0 0 375.561 3.751 40 0 GHABRN COc1ccc(/C=C/C(=O)Nc2cccc(-c3nn4c(C)nnc4s3)c2)cc1 ZINC000020609595 570271862 /nfs/dbraw/zinc/27/18/62/570271862.db2.gz MCLIQYDWYWYPCY-DHZHZOJOSA-N 0 0 391.456 3.822 40 0 GHABRN O=C1c2ccccc2C2=N[C@@H]3C(c4ccccc4)=NN=C(c4ccccc4)[C@H]3N=C12 ZINC000005682151 570272811 /nfs/dbraw/zinc/27/28/11/570272811.db2.gz MDOFTYIVXZNKGC-DHIUTWEWSA-N 0 0 388.430 3.771 40 0 GHABRN COc1ccc2cc([C@@H]3S[C@@H](C)C(=O)N3[C@@H]3CCCO3)c(Cl)nc2c1 ZINC000005920662 570274359 /nfs/dbraw/zinc/27/43/59/570274359.db2.gz CETSQLURVNJOHK-RNCGHPTOSA-N 0 0 378.881 3.996 40 0 GHABRN CC(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccc(C)cc2)CC1 ZINC000100750075 570276466 /nfs/dbraw/zinc/27/64/66/570276466.db2.gz MSIXZVFESOBVDK-IMSXRSKXSA-N 0 0 393.531 3.733 40 0 GHABRN CC(C)[C@H]([NH2+]Cc1ccccc1F)c1cc(=O)n2[n-]c(C3CCOCC3)cc2n1 ZINC000100769444 570277509 /nfs/dbraw/zinc/27/75/09/570277509.db2.gz VKBOJYGVADTPBM-QFIPXVFZSA-N 0 0 398.482 3.955 40 0 GHABRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccc3c(c2)OCO3)cc1 ZINC000006668273 570279991 /nfs/dbraw/zinc/27/99/91/570279991.db2.gz QQPYDLFOXKZNHL-VUIMYGBESA-N 0 0 375.380 3.519 40 0 GHABRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccccc2)CC1 ZINC000021576524 570304533 /nfs/dbraw/zinc/30/45/33/570304533.db2.gz AGAOLRNQTMQMGQ-UHFFFAOYSA-N 0 0 399.922 3.970 40 0 GHABRN COc1ccc(C(=O)NC(=S)Nc2cccc3nc(C)ccc32)c(OC)c1 ZINC000021596137 570307325 /nfs/dbraw/zinc/30/73/25/570307325.db2.gz UMAYKNOVMNJVQC-UHFFFAOYSA-N 0 0 381.457 3.687 40 0 GHABRN CCCCOC(=O)c1ccc(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)cc1 ZINC000022236492 570309231 /nfs/dbraw/zinc/30/92/31/570309231.db2.gz ZSYUTGLUXWMBSM-UHFFFAOYSA-N 0 0 396.418 3.887 40 0 GHABRN Cc1ccc(-c2noc(CNC(=O)[C@H]3CCCN(c4ccc(C)cc4)C3)n2)cc1 ZINC000022255782 570311285 /nfs/dbraw/zinc/31/12/85/570311285.db2.gz SXOMOAUYMLOAKR-IBGZPJMESA-N 0 0 390.487 3.886 40 0 GHABRN Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCc1ccc(F)cc1 ZINC000022516224 570319138 /nfs/dbraw/zinc/31/91/38/570319138.db2.gz VFDMUUZGIKKLAB-UHFFFAOYSA-N 0 0 398.459 3.865 40 0 GHABRN COC(=O)CN(c1ccccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000113874132 570334107 /nfs/dbraw/zinc/33/41/07/570334107.db2.gz AMMWEJJVOIWTBT-UHFFFAOYSA-N 0 0 388.272 3.670 40 0 GHABRN CCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(F)cc1 ZINC000113882880 570334485 /nfs/dbraw/zinc/33/44/85/570334485.db2.gz HBTLEGVCAHVQMA-UHFFFAOYSA-N 0 0 379.453 3.509 40 0 GHABRN Cc1ccc([C@H](C)NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 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Cc1ccc(S(=O)(=O)N2C[C@H](c3ccccc3)[C@H]3C(=O)CCCC[C@H]32)cc1 ZINC000095951668 222363609 /nfs/dbraw/zinc/36/36/09/222363609.db2.gz KCTOZJBUOMNNBJ-KCZVDYSFSA-N 0 0 383.513 3.911 40 0 biogenic GHABRN c1csc(CN2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)n1 ZINC000096038245 222374281 /nfs/dbraw/zinc/37/42/81/222374281.db2.gz FTPRDODKTYGSJC-UHFFFAOYSA-N 0 0 376.489 3.627 40 0 GHABRN O=C(c1cnc2ccccc2c1)N1CC[C@@]2(CCN2Cc2ccc(F)cc2)C1 ZINC000096076062 222376356 /nfs/dbraw/zinc/37/63/56/222376356.db2.gz PQVKRFFLKDIBCC-HSZRJFAPSA-N 0 0 375.447 3.865 40 0 GHABRN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@]2(C[C@H](CNc3ccccn3)CO2)C1 ZINC000096075748 222377177 /nfs/dbraw/zinc/37/71/77/222377177.db2.gz KNVNPAUFSTVXNR-HXOBKFHXSA-N 0 0 390.487 3.686 40 0 GHABRN O=C1[C@@H]2C[C@@H](CN2Cc2cccnc2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111788 222381955 /nfs/dbraw/zinc/38/19/55/222381955.db2.gz ODEZFQMRXQXNPH-UNMCSNQZSA-N 0 0 385.467 3.650 40 0 biogenic,in-vitro GHABRN COc1ccccc1CN1C[C@@H](F)[C@@H](OCc2nc3cc(C)c(C)cc3[nH]2)C1 ZINC000096112339 222381998 /nfs/dbraw/zinc/38/19/98/222381998.db2.gz WRMIIEMLKLKOBN-UTKZUKDTSA-N 0 0 383.467 3.927 40 0 biogenic,in-vitro GHABRN CCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000113882775 222520718 /nfs/dbraw/zinc/52/07/18/222520718.db2.gz PFTSKPDPLVZMFF-UHFFFAOYSA-N 0 0 388.272 3.752 40 0 GHABRN COC(=O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CCCC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000118924322 222523400 /nfs/dbraw/zinc/52/34/00/222523400.db2.gz YDJCFFHDEFBLPE-OAQGBNKUSA-N 0 0 390.520 3.929 40 0 GHABRN COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCC(C)C)c3N2)c1 ZINC000000884289 533741546 /nfs/dbraw/zinc/74/15/46/533741546.db2.gz SAYQUWDKUXMVQM-JKSUJKDBSA-N 0 0 396.413 3.938 40 0 GHABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cc1 ZINC000409121604 533987122 /nfs/dbraw/zinc/98/71/22/533987122.db2.gz WZQDCSJSCZQSBK-HNNXBMFYSA-N 0 0 390.505 3.612 40 0 GHABRN COc1ccc(N2C(=O)C(=Cc3ccccc3Br)NC2=S)cc1 ZINC000009187875 533994997 /nfs/dbraw/zinc/99/49/97/533994997.db2.gz SINHPFNSDPCVFF-GDNBJRDFSA-N 0 0 389.274 3.720 40 0 GHABRN O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)NC1CCCCCC1 ZINC000408705097 534344394 /nfs/dbraw/zinc/34/43/94/534344394.db2.gz YCAIDDVARSIZLL-UHFFFAOYSA-N 0 0 386.517 3.968 40 0 GHABRN COC(=O)Cn1nnc(-c2ccccc2Oc2ccc(Cl)cc2Cl)n1 ZINC000090514331 523414692 /nfs/dbraw/zinc/41/46/92/523414692.db2.gz CDDMKRGWBLAAQH-UHFFFAOYSA-N 0 0 379.203 3.612 40 0 GHABRN O=C1S[C@@H](Cc2ccc3c(c2)OCO3)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409140517 534825308 /nfs/dbraw/zinc/82/53/08/534825308.db2.gz ILUFKCAETPXJHE-INIZCTEOSA-N 0 0 375.833 3.875 40 0 GHABRN CC(C)(C)NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000010338575 526322831 /nfs/dbraw/zinc/32/28/31/526322831.db2.gz VRJHVNHWZXBBQO-UHFFFAOYSA-N 0 0 394.924 3.835 40 0 GHABRN CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(C)c2OC)c1 ZINC000408624428 527967207 /nfs/dbraw/zinc/96/72/07/527967207.db2.gz TWMFTDVURQGFLI-UHFFFAOYSA-N 0 0 385.489 3.869 40 0 GHABRN CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 ZINC000408583811 528050537 /nfs/dbraw/zinc/05/05/37/528050537.db2.gz KNFRHIZSTDXSMF-UHFFFAOYSA-N 0 0 381.885 3.918 40 0 GHABRN CCN(CC)C(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000409130533 528075804 /nfs/dbraw/zinc/07/58/04/528075804.db2.gz IMERXFPJNQLLER-JOCHJYFZSA-N 0 0 382.529 3.985 40 0 GHABRN CCNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1C ZINC000408610789 528226445 /nfs/dbraw/zinc/22/64/45/528226445.db2.gz VXDIUXMPBNTXPO-UHFFFAOYSA-N 0 0 387.288 3.852 40 0 GHABRN CCOc1cc([C@H]2[NH2+]C[C@H](C(=O)[O-])S2)ccc1OCc1ccc(F)cc1 ZINC000408980803 528335108 /nfs/dbraw/zinc/33/51/08/528335108.db2.gz XVLDOBITCQCFJL-MSOLQXFVSA-N 0 0 377.437 3.592 40 0 GHABRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)NC(C)C ZINC000408701465 528406813 /nfs/dbraw/zinc/40/68/13/528406813.db2.gz YJRLHWGLGLVTPR-UHFFFAOYSA-N 0 0 396.896 3.678 40 0 GHABRN CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1S(=O)(=O)NC(C)C ZINC000408700358 528406821 /nfs/dbraw/zinc/40/68/21/528406821.db2.gz DQCJNCJWLWOZSM-UHFFFAOYSA-N 0 0 390.505 3.641 40 0 GHABRN CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccc(C)cc1 ZINC000225383811 528436652 /nfs/dbraw/zinc/43/66/52/528436652.db2.gz OQJVZXOEUKNQOL-QFIPXVFZSA-N 0 0 396.531 3.880 40 0 GHABRN CCOc1ccc(NC(=O)CCCN(c2cccc(C)c2)S(C)(=O)=O)cc1 ZINC000008478967 528501806 /nfs/dbraw/zinc/50/18/06/528501806.db2.gz QGQBCSRBPFOOOT-UHFFFAOYSA-N 0 0 390.505 3.579 40 0 GHABRN CCCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000408546791 528505049 /nfs/dbraw/zinc/50/50/49/528505049.db2.gz GLGBLESEXLPIQK-UHFFFAOYSA-N 0 0 394.924 3.760 40 0 GHABRN CCOc1ccc(NC(=O)[C@@H]2CSCN2C(=O)OCc2ccccc2)cc1 ZINC000408736675 528543432 /nfs/dbraw/zinc/54/34/32/528543432.db2.gz FEADHSGSRXIDOG-SFHVURJKSA-N 0 0 386.473 3.736 40 0 GHABRN CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1NC(=O)CC ZINC000408697139 528587472 /nfs/dbraw/zinc/58/74/72/528587472.db2.gz HWNUECIZOPQALO-UHFFFAOYSA-N 0 0 376.478 3.851 40 0 GHABRN CCOc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1 ZINC000106702976 528628040 /nfs/dbraw/zinc/62/80/40/528628040.db2.gz ZXHGSEGQIDUIGT-ATVHPVEESA-N 0 0 382.441 3.760 40 0 GHABRN CCOC(=O)COc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1OC ZINC000409100885 528841898 /nfs/dbraw/zinc/84/18/98/528841898.db2.gz VTXGLQGJKRYGGK-WQRHYEAKSA-N 0 0 385.441 3.722 40 0 GHABRN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2C)ccc1OCC ZINC000408586631 529107051 /nfs/dbraw/zinc/10/70/51/529107051.db2.gz PJJRWUVJCQTURO-UHFFFAOYSA-N 0 0 378.450 3.763 40 0 GHABRN CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccccc2C(C)=O)CC1=O ZINC000408650889 529162833 /nfs/dbraw/zinc/16/28/33/529162833.db2.gz BVSGSCQMPJEWSD-GOSISDBHSA-N 0 0 379.456 3.973 40 0 GHABRN COc1ccc(C[N@@H+]2CC[C@@H](CC(=O)[O-])[C@@H](Cc3nc4ccccc4[nH]3)C2)cc1 ZINC000514290024 560030808 /nfs/dbraw/zinc/03/08/08/560030808.db2.gz RKDAXTYJKJMNGS-ROUUACIJSA-N 0 0 393.487 3.727 40 0 biogenic,in-vitro GHABRN COc1ccccc1CN1CCC[C@H]1c1nc(-c2ccc(N(C)C)nc2)no1 ZINC000035426257 560080463 /nfs/dbraw/zinc/08/04/63/560080463.db2.gz WRQFNSHQSBXURH-KRWDZBQOSA-N 0 0 379.464 3.543 40 0 biogenic,in-vitro GHABRN COCCOc1ccnc(-c2noc([C@@H]3CCCN3Cc3ccc(C)cc3)n2)c1 ZINC000035425110 560080808 /nfs/dbraw/zinc/08/08/08/560080808.db2.gz PEAHFGFGMMZXTK-FQEVSTJZSA-N 0 0 394.475 3.802 40 0 biogenic,in-vitro GHABRN CC1=C[C@@H](CNC(=O)c2ccccn2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 ZINC000030881537 560089926 /nfs/dbraw/zinc/08/99/26/560089926.db2.gz HZPYHKQXUBDYHV-UFYCRDLUSA-N 0 0 383.536 3.679 40 0 biogenic,in-vitro GHABRN CC(C)NC(=O)Nc1nc2c(s1)C[C@]1(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@H]1[C@@H]2C ZINC000003839958 560190089 /nfs/dbraw/zinc/19/00/89/560190089.db2.gz PDMPMSSARBOJDD-XVFCTPOOSA-N 0 0 391.537 3.927 40 0 biogenic,in-vitro GHABRN CCn1ncc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4F)c3)on2)c1C ZINC000019719271 570210556 /nfs/dbraw/zinc/21/05/56/570210556.db2.gz YKRULCNRHCWHDO-UHFFFAOYSA-N 0 0 394.410 3.503 40 0 GHABRN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1Cn1cccn1 ZINC000019719190 570210601 /nfs/dbraw/zinc/21/06/01/570210601.db2.gz UIVIOOCGYQFVDB-UHFFFAOYSA-N 0 0 397.862 3.676 40 0 GHABRN CCCn1ncc2ccc([C@@H]3CCCN(CC(=O)Nc4ccc(F)cc4)C3)nc21 ZINC000019742132 570212633 /nfs/dbraw/zinc/21/26/33/570212633.db2.gz ACYQEOZBQAYOTB-QGZVFWFLSA-N 0 0 395.482 3.799 40 0 GHABRN CC(C)c1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(N[C@H](CO)C(C)C)n1 ZINC000329020343 570213489 /nfs/dbraw/zinc/21/34/89/570213489.db2.gz OBHYQNONCMXOOS-HRAATJIYSA-N 0 0 398.551 3.645 40 0 GHABRN CCc1cccc(NC(=O)N2CC[C@]3(C[C@H]3C(=O)NCc3cccs3)C2)c1 ZINC000096227696 570221289 /nfs/dbraw/zinc/22/12/89/570221289.db2.gz HYSWCVSBPHBIJR-RXVVDRJESA-N 0 0 383.517 3.871 40 0 GHABRN O=C(C[C@H]1CC2(CCN(C(=O)c3ccco3)CC2)c2ccccc21)N1CCCC1 ZINC000096242080 570222827 /nfs/dbraw/zinc/22/28/27/570222827.db2.gz HGCIDAAOOCLPDQ-SFHVURJKSA-N 0 0 392.499 3.953 40 0 GHABRN O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@@H](CN2Cc2ccccc2Cl)C1 ZINC000096244875 570224130 /nfs/dbraw/zinc/22/41/30/570224130.db2.gz BXCIPSYHFXRPMJ-LPHOPBHVSA-N 0 0 375.299 3.879 40 0 GHABRN O=C(c1cccc(C(F)(F)F)c1)N1CCCn2cnc(CN3CCCC3)c2C1 ZINC000096259318 570225485 /nfs/dbraw/zinc/22/54/85/570225485.db2.gz HMTOCHICEMQCIS-UHFFFAOYSA-N 0 0 392.425 3.544 40 0 GHABRN CC(C)N1c2sc(-c3ccccc3)nc2C[C@@H]1C(=O)NCc1ccncc1 ZINC000096264432 570226872 /nfs/dbraw/zinc/22/68/72/570226872.db2.gz GKJDRWBQFPEISK-GOSISDBHSA-N 0 0 378.501 3.661 40 0 GHABRN CN(Cc1ccccn1)C(=O)c1ccc2nnc3ncn(C4CCCC4)c3c2c1 ZINC000096264266 570226996 /nfs/dbraw/zinc/22/69/96/570226996.db2.gz JCXNVMXABFQRAY-UHFFFAOYSA-N 0 0 386.459 3.762 40 0 GHABRN CC(C)NC(=O)N1CCO[C@H](c2ncn3c2cccc3Nc2ccccc2)C1 ZINC000096267338 570227362 /nfs/dbraw/zinc/22/73/62/570227362.db2.gz WPZMBQSIMKKMAR-SFHVURJKSA-N 0 0 379.464 3.569 40 0 GHABRN CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc(C)cc1 ZINC000019932797 570231220 /nfs/dbraw/zinc/23/12/20/570231220.db2.gz SENSPGJBZVWRRO-DNVCBOLYSA-N 0 0 392.496 3.556 40 0 GHABRN CCCNC(=O)c1ccccc1NC(=O)CSc1ccc(OC)c(OC)c1 ZINC000019934624 570231466 /nfs/dbraw/zinc/23/14/66/570231466.db2.gz DWBMVTXCMJFEAL-UHFFFAOYSA-N 0 0 388.489 3.574 40 0 GHABRN CCn1c2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc2oc1=O ZINC000019936774 570231810 /nfs/dbraw/zinc/23/18/10/570231810.db2.gz KXTHLOPTBCCJLQ-UHFFFAOYSA-N 0 0 387.244 3.722 40 0 GHABRN O=C(NCc1ccco1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000020047651 570237623 /nfs/dbraw/zinc/23/76/23/570237623.db2.gz NZFDAGKVUIHPEA-UHFFFAOYSA-N 0 0 390.848 3.664 40 0 GHABRN Cc1ccc([C@H](C)NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000020050496 570238154 /nfs/dbraw/zinc/23/81/54/570238154.db2.gz WOZXAVFUQDSKIK-INIZCTEOSA-N 0 0 392.496 3.558 40 0 GHABRN CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1c2cccc1Br ZINC000098213800 570248370 /nfs/dbraw/zinc/24/83/70/570248370.db2.gz IBUDXWYSLRHSLK-UHFFFAOYSA-N 0 0 381.270 3.670 40 0 GHABRN COc1cccc(NC(=O)[C@H]2CC[C@H](Cn3cnc4ccccc4c3=O)CC2)c1 ZINC000101403751 570252372 /nfs/dbraw/zinc/25/23/72/570252372.db2.gz VLHIJHSARPSERJ-CALCHBBNSA-N 0 0 391.471 3.850 40 0 GHABRN CC1=C(NC(=O)c2noc3c2CCCCC3)[C@H](C)NN1Cc1ccccc1C ZINC000020418471 570255194 /nfs/dbraw/zinc/25/51/94/570255194.db2.gz MULOFLHNPDCUBP-HNNXBMFYSA-N 0 0 380.492 3.622 40 0 GHABRN CCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000020448374 570255904 /nfs/dbraw/zinc/25/59/04/570255904.db2.gz GRMOQXBTSOQPMU-CYBMUJFWSA-N 0 0 392.908 3.620 40 0 GHABRN COc1ccc(S[C@@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 ZINC000020459990 570260272 /nfs/dbraw/zinc/26/02/72/570260272.db2.gz HVPIGYLQAVUHKW-HNNXBMFYSA-N 0 0 381.501 3.986 40 0 GHABRN Cc1nc(Nc2ccccn2)cc([C@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 ZINC000585292801 570261100 /nfs/dbraw/zinc/26/11/00/570261100.db2.gz SKAROWWPNHDXJN-VYENPZKTSA-N 0 0 385.471 3.953 40 0 GHABRN O=C(/C=C/c1ccco1)N1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000585292311 570261421 /nfs/dbraw/zinc/26/14/21/570261421.db2.gz KOGOKUCQUQJEEM-NFAHFFEMSA-N 0 0 395.488 3.764 40 0 GHABRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000020489950 570262708 /nfs/dbraw/zinc/26/27/08/570262708.db2.gz LUHNJKCOPGQOMP-SFHVURJKSA-N 0 0 393.505 3.778 40 0 GHABRN CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 ZINC000020493911 570263888 /nfs/dbraw/zinc/26/38/88/570263888.db2.gz ZGQQEVMPZUSPFZ-QGZVFWFLSA-N 0 0 377.824 3.931 40 0 GHABRN CS(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1Cl ZINC000020495109 570264306 /nfs/dbraw/zinc/26/43/06/570264306.db2.gz XYMFLJPYUXEBAQ-INIZCTEOSA-N 0 0 378.881 3.519 40 0 GHABRN Cc1c(-c2ccccc2)nn2c1[nH]c([C@H](C)n1ncc3ccccc3c1=O)cc2=O ZINC000100223784 570269489 /nfs/dbraw/zinc/26/94/89/570269489.db2.gz RKRZVZMIBQDTEZ-HNNXBMFYSA-N 0 0 397.438 3.730 40 0 GHABRN CC1(C)CC(=O)c2cnc(NC(=O)COc3ccc(Cl)cc3Cl)nc2C1 ZINC000020633841 570273191 /nfs/dbraw/zinc/27/31/91/570273191.db2.gz REPXNQCESTWTTE-UHFFFAOYSA-N 0 0 394.258 3.956 40 0 GHABRN Cc1ccc(-c2c3c(nc4nc(N5CCCCC5)[nH]c(=O)c42)CCCC3=O)cc1 ZINC000020673689 570274780 /nfs/dbraw/zinc/27/47/80/570274780.db2.gz KRGSELZOBDYPKO-UHFFFAOYSA-N 0 0 388.471 3.803 40 0 GHABRN CCc1ccc(-n2c(O)c3c(-c4ccco4)nn(-c4ccccc4)c3c2O)cc1 ZINC000101460714 570283520 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COc1ccc(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000223215225 136205653 /nfs/dbraw/zinc/20/56/53/136205653.db2.gz UTIYGPBNTSCTDQ-UHFFFAOYSA-N 0 0 392.421 3.914 40 0 GHABRN CC1CCN(c2ccc(NC(=S)NCc3ccc4c(c3)OCO4)cn2)CC1 ZINC000224045808 136206271 /nfs/dbraw/zinc/20/62/71/136206271.db2.gz GPGYCSCUDFCGCU-UHFFFAOYSA-N 0 0 384.505 3.533 40 0 GHABRN O=C(NCc1nccc(N2CCCCC2)n1)C(c1ccccc1)c1ccccc1 ZINC000224161155 136206431 /nfs/dbraw/zinc/20/64/31/136206431.db2.gz KDYCDGZMCYGCNE-UHFFFAOYSA-N 0 0 386.499 3.915 40 0 GHABRN Cc1cc(C)cc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c1 ZINC000224259204 136206582 /nfs/dbraw/zinc/20/65/82/136206582.db2.gz NHLRALWROOYUCN-UHFFFAOYSA-N 0 0 387.487 3.672 40 0 GHABRN COc1cc(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)c(OC)cc1Cl ZINC000022236506 221555246 /nfs/dbraw/zinc/55/52/46/221555246.db2.gz UNJDOFAGNGIFTG-UHFFFAOYSA-N 0 0 390.798 3.601 40 0 GHABRN Cc1ccc([C@H](C)NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1C ZINC000022331440 221558076 /nfs/dbraw/zinc/55/80/76/221558076.db2.gz 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221957117 /nfs/dbraw/zinc/95/71/17/221957117.db2.gz QFQWRVBLSCRFPE-SFHVURJKSA-N 0 0 390.867 3.512 40 0 GHABRN CN(C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)C1CCCCC1 ZINC000044885596 221955579 /nfs/dbraw/zinc/95/55/79/221955579.db2.gz NCMQCZYTRJLVGC-UHFFFAOYSA-N 0 0 386.517 3.920 40 0 GHABRN CCN(CC)[C@H]1COc2c(Br)c(C)c(Br)cc2C1=O ZINC000055116633 222016899 /nfs/dbraw/zinc/01/68/99/222016899.db2.gz MVYDGCAPNDUWFZ-NSHDSACASA-N 0 0 391.103 3.806 40 0 GHABRN COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1OC ZINC000065086546 222099014 /nfs/dbraw/zinc/09/90/14/222099014.db2.gz IBXYKCJULPHZJE-CQSZACIVSA-N 0 0 377.868 3.874 40 0 GHABRN Cn1c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2n(C)c1=O ZINC000060242951 222059092 /nfs/dbraw/zinc/05/90/92/222059092.db2.gz SHOYBGARUHKFEN-UHFFFAOYSA-N 0 0 394.656 3.545 40 0 GHABRN COc1ccc(OCCCC(=O)NCc2ccccc2-n2ccnc2C)cc1 ZINC000061624289 222061294 /nfs/dbraw/zinc/06/12/94/222061294.db2.gz CNPPUKHUKTYINU-UHFFFAOYSA-N 0 0 379.460 3.665 40 0 GHABRN CCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(N)n2)cc1 ZINC000071977803 222201581 /nfs/dbraw/zinc/20/15/81/222201581.db2.gz LJLBLUCUWQSIPA-UHFFFAOYSA-N 0 0 381.432 3.817 40 0 GHABRN CCO[C@@H](C)CNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 ZINC000072344835 222233231 /nfs/dbraw/zinc/23/32/31/222233231.db2.gz VVBWEPCYBSRGAB-SFHVURJKSA-N 0 0 382.504 3.629 40 0 GHABRN O=C(Cc1cccnc1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 ZINC000072358822 222238988 /nfs/dbraw/zinc/23/89/88/222238988.db2.gz UFWGXTNMBSAMQU-SFHVURJKSA-N 0 0 376.435 3.626 40 0 GHABRN O=C(c1ccccn1)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1 ZINC000072362247 222241390 /nfs/dbraw/zinc/24/13/90/222241390.db2.gz AIMXBBGFTKSITN-UHFFFAOYSA-N 0 0 378.407 3.823 40 0 GHABRN O=C(c1cscn1)N1CCC[C@@H](c2cncc(Oc3cccc(F)c3)n2)C1 ZINC000072362643 222241469 /nfs/dbraw/zinc/24/14/69/222241469.db2.gz RPJHORHDEZGATL-CYBMUJFWSA-N 0 0 384.436 3.884 40 0 GHABRN O=C(c1cccnc1)N1CCC[C@@H](c2cncc(Oc3ccccc3F)n2)C1 ZINC000072362086 222241591 /nfs/dbraw/zinc/24/15/91/222241591.db2.gz 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CCCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(OC)cc1OC)C3 ZINC000019816975 221455620 /nfs/dbraw/zinc/45/56/20/221455620.db2.gz WJYHTLGDBAJEKJ-LBPRGKRZSA-N 0 0 398.488 3.556 40 0 GHABRN Cc1nc([C@H]2CCCN2C(=O)C(C)(C)C)nc2c1CC(=O)N2Cc1ccccc1 ZINC000019739981 221449198 /nfs/dbraw/zinc/44/91/98/221449198.db2.gz QLOTVEDCAVSFKS-GOSISDBHSA-N 0 0 392.503 3.584 40 0 GHABRN CCS(=O)(=O)N1c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2C[C@H]1C ZINC000020449246 221487332 /nfs/dbraw/zinc/48/73/32/221487332.db2.gz HYKQBOUVQLKZAT-MRXNPFEDSA-N 0 0 386.517 3.965 40 0 GHABRN C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000409380520 533320125 /nfs/dbraw/zinc/32/01/25/533320125.db2.gz FYRFOMKLYHIEJB-NSHDSACASA-N 0 0 387.288 3.787 40 0 GHABRN COc1cccc(NC(=O)c2ccccc2N2C(=O)[C@@H]3CC=C[C@H](C)[C@@H]3C2=O)c1 ZINC000408672574 533613962 /nfs/dbraw/zinc/61/39/62/533613962.db2.gz NYFJAUGUJCTSDW-QMIHWGKISA-N 0 0 390.439 3.649 40 0 GHABRN C[C@@H]1C[C@@H](N(c2ccccc2)S(C)(=O)=O)c2ccccc2N1C(=O)C1CC1 ZINC000010153281 136197238 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CCN1C(=O)CC[C@@H](C(=O)N(Cc2ccccn2)C2CC2)[C@@H]1c1ccccc1C ZINC000257292919 222771372 /nfs/dbraw/zinc/77/13/72/222771372.db2.gz QNLTXKXWMCXGIY-GGAORHGYSA-N 0 0 391.515 3.881 40 0 GHABRN COc1cc(OC)c([C@H]2C[C@@](C)(OC)Oc3cc4c(cc32)OCO4)c(OC)c1 ZINC000001611568 212250789 /nfs/dbraw/zinc/25/07/89/212250789.db2.gz HWYLZHKWPDVNBJ-QKKBWIMNSA-N 0 0 388.416 3.718 40 0 GHABRN Cc1ccc(N2CCN(c3ncnc4c3cnn4-c3ccccc3)C[C@@H]2C)cc1 ZINC000001467516 212247815 /nfs/dbraw/zinc/24/78/15/212247815.db2.gz PVXZBZIMTQQPRG-SFHVURJKSA-N 0 0 384.487 3.839 40 0 GHABRN Cc1ccc2c(c1)nnn2C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000001380727 212240232 /nfs/dbraw/zinc/24/02/32/212240232.db2.gz FGELPIGYLPQAMQ-UHFFFAOYSA-N 0 0 399.292 3.980 40 0 GHABRN Cc1noc2nc(C)cc(C(=O)/N=c3/sccn3Cc3ccccc3F)c12 ZINC000022138117 212154431 /nfs/dbraw/zinc/15/44/31/212154431.db2.gz BBIKIBDEXXVPEA-ZBJSNUHESA-N 0 0 382.420 3.631 40 0 GHABRN COc1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1N ZINC000057340517 212131341 /nfs/dbraw/zinc/13/13/41/212131341.db2.gz XFFRAOGUOLUPSO-UHFFFAOYSA-N 0 0 379.254 3.836 40 0 GHABRN Cc1cc2nc(-c3cc(N4C[C@@H](C(N)=O)CC4=O)ccc3Cl)oc2c(C)c1 ZINC000045887542 212118233 /nfs/dbraw/zinc/11/82/33/212118233.db2.gz GWYYLCVZAGHNNL-LBPRGKRZSA-N 0 0 383.835 3.603 40 0 GHABRN COC(=O)[C@H]1CC(=O)N(c2cccc(-c3nc4cc(Cl)ccc4o3)c2C)C1 ZINC000045887250 212118653 /nfs/dbraw/zinc/11/86/53/212118653.db2.gz WRJPTXUZRIHHJW-LBPRGKRZSA-N 0 0 384.819 3.983 40 0 GHABRN CCn1c2nnc(CNc3c(C)cc(C)cc3Cl)n2c2ccccc2c1=O ZINC000012540867 212098367 /nfs/dbraw/zinc/09/83/67/212098367.db2.gz KHZOUQLRQDWBEJ-UHFFFAOYSA-N 0 0 381.867 3.946 40 0 GHABRN Brc1ccc(CNc2cc(-c3ccccc3)nc(NC3CC3)n2)cc1 ZINC000328982469 212092745 /nfs/dbraw/zinc/09/27/45/212092745.db2.gz HANXSDDLBZWHCQ-UHFFFAOYSA-N 0 0 395.304 3.936 40 0 GHABRN Cc1nc2cc(Nc3cc(-c4ccncc4)nc(NC(C)C)n3)ccc2s1 ZINC000328998008 212091974 /nfs/dbraw/zinc/09/19/74/212091974.db2.gz JRHMWSNWAAJICK-UHFFFAOYSA-N 0 0 376.489 3.864 40 0 GHABRN CC(C)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(-c2ccncc2)n1 ZINC000328969935 212090867 /nfs/dbraw/zinc/09/08/67/212090867.db2.gz DGSATBMNSYZSMO-UHFFFAOYSA-N 0 0 389.381 3.845 40 0 GHABRN CCNc1nc(NCc2cccs2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328970704 212090093 /nfs/dbraw/zinc/09/00/93/212090093.db2.gz DLHAYUFNZOGTSJ-UHFFFAOYSA-N 0 0 394.422 3.991 40 0 GHABRN CNC(=S)N(CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000000920068 220466131 /nfs/dbraw/zinc/46/61/31/220466131.db2.gz NARCXQPIIBZADS-UHFFFAOYSA-N 0 0 379.529 3.694 40 0 GHABRN CC(C)c1nc2ccccc2c2nnc(SCC(=O)N3C[C@H](C)C[C@H](C)C3)n21 ZINC000001327782 220487333 /nfs/dbraw/zinc/48/73/33/220487333.db2.gz WCWZTDRXMVLPMA-GASCZTMLSA-N 0 0 397.548 3.998 40 0 GHABRN Cc1sc2[nH]c(SCC(=O)N3c4ccccc4C[C@H]3C)nc(=O)c2c1C ZINC000001368204 220490915 /nfs/dbraw/zinc/49/09/15/220490915.db2.gz CBXBBHUNZFJYQZ-SNVBAGLBSA-N 0 0 385.514 3.671 40 0 GHABRN Cc1ccc(C)c2[nH]c(=O)c(CN(CCCO)C(=O)Nc3ccccc3F)cc12 ZINC000004231244 220695023 /nfs/dbraw/zinc/69/50/23/220695023.db2.gz HMIVQSCNEZEEIZ-UHFFFAOYSA-N 0 0 397.450 3.701 40 0 GHABRN CCCCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccnc1 ZINC000004161416 220687087 /nfs/dbraw/zinc/68/70/87/220687087.db2.gz WBLIJYKVTJMEOZ-UHFFFAOYSA-N 0 0 388.522 3.636 40 0 GHABRN CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3ccc(Cl)cc3)ccc12 ZINC000004237129 220694213 /nfs/dbraw/zinc/69/42/13/220694213.db2.gz FSCRICQQJLFFOK-GOEBONIOSA-N 0 0 385.895 3.706 40 0 biogenic,in-vitro GHABRN COc1cccc(NC(=S)N2[C@@H]3CCC[C@H]2CC(NC(=O)C(C)(C)C)C3)c1 ZINC000004857405 220777362 /nfs/dbraw/zinc/77/73/62/220777362.db2.gz PYNPBMJFJIZTNT-ALOPSCKCSA-N 0 0 389.565 3.940 40 0 GHABRN Cc1cc2c(cc(C(=O)O[C@@H](C(=O)NC(C)(C)C)c3ccncc3)n2C)s1 ZINC000004924360 220792761 /nfs/dbraw/zinc/79/27/61/220792761.db2.gz HFAOMTDAMLMINI-QGZVFWFLSA-N 0 0 385.489 3.756 40 0 GHABRN O=C(Nc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2cccnc2)c1=O ZINC000005396556 220865137 /nfs/dbraw/zinc/86/51/37/220865137.db2.gz IDPPFFICKOMJNY-FUHWJXTLSA-N 0 0 386.455 3.562 40 0 biogenic,in-vitro GHABRN CCCCCNC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000006596810 220944380 /nfs/dbraw/zinc/94/43/80/220944380.db2.gz LRTLLTFFJYNLKF-UHFFFAOYSA-N 0 0 380.554 3.537 40 0 GHABRN Cc1nn(-c2nc(C)cc(C)n2)c2c1[C@H](c1ccccc1)S[C@@H](C)C(=O)N2 ZINC000006679378 220950437 /nfs/dbraw/zinc/95/04/37/220950437.db2.gz HCEBVAWNPLAJQB-YOEHRIQHSA-N 0 0 379.489 3.751 40 0 GHABRN CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(C)cc1 ZINC000007792482 221012764 /nfs/dbraw/zinc/01/27/64/221012764.db2.gz PCFFAUWMSPOMGP-HXUWFJFHSA-N 0 0 386.517 3.661 40 0 GHABRN Cc1cccc(OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 ZINC000007642180 221004592 /nfs/dbraw/zinc/00/45/92/221004592.db2.gz HOIIHQWMRYSRGC-UHFFFAOYSA-N 0 0 388.467 3.985 40 0 GHABRN O=C(c1ccccc1)N(Cc1ccc(F)cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000008855119 221060726 /nfs/dbraw/zinc/06/07/26/221060726.db2.gz DAYKRWFSEVQELP-UHFFFAOYSA-N 0 0 387.414 3.905 40 0 GHABRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@@H](C)[C@@]4(O)C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000008618881 221047209 /nfs/dbraw/zinc/04/72/09/221047209.db2.gz PPWXHEFVBQBHDR-CQHUQBIDSA-N 0 0 392.536 3.863 40 0 GHABRN CCN1c2ccccc2[C@]2(Nc3ccccc3C(=O)N2Cc2ccccc2)C1=O ZINC000010342422 221101825 /nfs/dbraw/zinc/10/18/25/221101825.db2.gz GVPVBYNTKUIGGV-XMMPIXPASA-N 0 0 383.451 3.974 40 0 GHABRN Cc1ccccc1[C@H](NC(=O)c1cc2c([nH]c1=O)CCCCC2)c1ccncc1 ZINC000012148513 221160721 /nfs/dbraw/zinc/16/07/21/221160721.db2.gz DFEAHEBEZDARGG-JOCHJYFZSA-N 0 0 387.483 3.867 40 0 GHABRN Cc1nc(C)c(C(=O)N2CCC[C@H](c3nc(C)ncc3-c3ccncc3)C2)s1 ZINC000012088629 221149105 /nfs/dbraw/zinc/14/91/05/221149105.db2.gz SIIXRFLKNGJEPK-KRWDZBQOSA-N 0 0 393.516 3.940 40 0 GHABRN CC(C)(C)Nc1c([C@H]2CCCN(C(=O)c3cccnc3)C2)nc2ccccn21 ZINC000012088127 221149598 /nfs/dbraw/zinc/14/95/98/221149598.db2.gz UOSMQYZGHWGRIB-KRWDZBQOSA-N 0 0 377.492 3.960 40 0 GHABRN CC(C)C(=O)N1CCC[C@H](c2nc(N3CCCCC3)ncc2-c2cccnc2)C1 ZINC000012119442 221152675 /nfs/dbraw/zinc/15/26/75/221152675.db2.gz NMQIBNHBPVOULJ-IBGZPJMESA-N 0 0 393.535 3.891 40 0 GHABRN Cc1cc(-c2cncnc2[C@@H]2CCCN(C(=O)c3cc(CC(C)C)on3)C2)on1 ZINC000012118447 221152965 /nfs/dbraw/zinc/15/29/65/221152965.db2.gz XIDVWYKREHQFPP-OAHLLOKOSA-N 0 0 395.463 3.646 40 0 GHABRN Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1 ZINC000012118662 221153167 /nfs/dbraw/zinc/15/31/67/221153167.db2.gz LPZZZBFIAJGMPK-KRWDZBQOSA-N 0 0 390.491 3.713 40 0 GHABRN Cc1cc(-c2cnc3cc(C)nn3c2[C@@H]2CCCN(C(=O)C3CCCC3)C2)on1 ZINC000012123495 221155964 /nfs/dbraw/zinc/15/59/64/221155964.db2.gz SYJLCBZNWFIADW-QGZVFWFLSA-N 0 0 393.491 3.897 40 0 GHABRN CC[C@H](C)C(=O)N1CCC[C@H](c2c(-c3cc(C)no3)cnc3cc(C)nn32)C1 ZINC000012123557 221156072 /nfs/dbraw/zinc/15/60/72/221156072.db2.gz UDUGLIVFKZDUGV-BBRMVZONSA-N 0 0 381.480 3.753 40 0 GHABRN O=C(NCc1ccc(N2CCCC2=O)cc1)c1ncoc1-c1ccc(F)cc1 ZINC000012145508 221159379 /nfs/dbraw/zinc/15/93/79/221159379.db2.gz KOGIFSMTEKMESE-UHFFFAOYSA-N 0 0 379.391 3.538 40 0 GHABRN CCc1nc(N2CCCC2)ncc1C(=O)N[C@@H](c1ccccc1)c1cccnc1 ZINC000012148253 221159978 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CC[C@@H](C(=O)Nc1ccc(F)cc1F)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716495 221282818 /nfs/dbraw/zinc/28/28/18/221282818.db2.gz RSOLXVPYSKWVAI-SFHVURJKSA-N 0 0 396.459 3.765 40 0 GHABRN CC[C@H](C(=O)Nc1ccccc1OC)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712074 221283201 /nfs/dbraw/zinc/28/32/01/221283201.db2.gz DGJWKJBQIGKLRK-MRXNPFEDSA-N 0 0 396.896 3.532 40 0 GHABRN CC[C@H](C(=O)Nc1ccccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715197 221283402 /nfs/dbraw/zinc/28/34/02/221283402.db2.gz GPVZUWOOZMBWMW-MRXNPFEDSA-N 0 0 384.860 3.662 40 0 GHABRN Cc1cc(OCC(=O)c2ccccc2)ccc1N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000013856551 221292402 /nfs/dbraw/zinc/29/24/02/221292402.db2.gz BAZQIEZAPXIYPD-NEAWWFDSSA-N 0 0 389.451 3.792 40 0 GHABRN O=C(CN1c2cccc3cccc(c23)C1=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000014214552 221304797 /nfs/dbraw/zinc/30/47/97/221304797.db2.gz UYZMHVNCQWXFHQ-UHFFFAOYSA-N 0 0 385.423 3.566 40 0 GHABRN O=C(Nc1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000014429792 221311287 /nfs/dbraw/zinc/31/12/87/221311287.db2.gz RQVCDAOMNWYDGN-UHFFFAOYSA-N 0 0 398.406 3.742 40 0 GHABRN Cc1cccc(CSCC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000016109034 221357564 /nfs/dbraw/zinc/35/75/64/221357564.db2.gz HFGQJPUNKIAIJF-HNNXBMFYSA-N 0 0 377.531 3.509 40 0 GHABRN CSCC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1nnc2ccccn21 ZINC000015972107 221353924 /nfs/dbraw/zinc/35/39/24/221353924.db2.gz JCASVMVMTHVTKS-GOSISDBHSA-N 0 0 393.516 3.754 40 0 GHABRN Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1[C@@H](O)CC(C)(C)C2 ZINC000016740232 221369439 /nfs/dbraw/zinc/36/94/39/221369439.db2.gz KYVZKVLCZIDQHJ-KRWDZBQOSA-N 0 0 386.467 3.695 40 0 GHABRN Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)oc2c1[C@H](O)CC(C)(C)C2 ZINC000016740231 221370008 /nfs/dbraw/zinc/37/00/08/221370008.db2.gz KYVZKVLCZIDQHJ-QGZVFWFLSA-N 0 0 386.467 3.695 40 0 GHABRN CC(C)(C)CC(=O)N1CCC[C@](Cc2ccccc2-c2cccnc2)(C(N)=O)C1 ZINC000019082602 221396092 /nfs/dbraw/zinc/39/60/92/221396092.db2.gz PCTVWKFFSRSWDQ-XMMPIXPASA-N 0 0 393.531 3.821 40 0 GHABRN 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Cc1ncsc1C(=O)N1CCC[C@H]1c1cncc(-n2ccnc2C(C)C)n1 ZINC000072378615 222243881 /nfs/dbraw/zinc/24/38/81/222243881.db2.gz KRZFADGHDGNBMV-HNNXBMFYSA-N 0 0 382.493 3.528 40 0 GHABRN CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 ZINC000072378879 222245618 /nfs/dbraw/zinc/24/56/18/222245618.db2.gz SHCSPQJEKXLNIX-GOSISDBHSA-N 0 0 375.476 3.806 40 0 GHABRN CCc1cc(C(=O)N2CCC[C@@H](c3nccnc3Oc3cccnc3C)C2)on1 ZINC000072384333 222247162 /nfs/dbraw/zinc/24/71/62/222247162.db2.gz WNCKZIBXJLNQAC-OAHLLOKOSA-N 0 0 393.447 3.543 40 0 GHABRN CC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)c1csc2c1CCCC2 ZINC000072389538 222247328 /nfs/dbraw/zinc/24/73/28/222247328.db2.gz AJRSHGMKNJXVBD-GOSISDBHSA-N 0 0 385.533 3.516 40 0 GHABRN Cc1cc(Oc2ccccc2)nc([C@H]2CCCCN2C(=O)c2cnn(C)c2)n1 ZINC000072384299 222247352 /nfs/dbraw/zinc/24/73/52/222247352.db2.gz QOIORCVVDHAJIO-GOSISDBHSA-N 0 0 377.448 3.678 40 0 GHABRN Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CCCCN2C(=O)c2nccn2C)n1 ZINC000072384416 222247494 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GXMHCWNRHGKTHH-PMACEKPBSA-N 0 0 384.549 3.844 40 0 GHABRN CC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1)c1ccc(OC)cc1 ZINC000225378714 529645314 /nfs/dbraw/zinc/64/53/14/529645314.db2.gz TUQQRRMHBSAEHQ-KRWDZBQOSA-N 0 0 397.880 3.565 40 0 GHABRN COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1OC ZINC000223327652 222630009 /nfs/dbraw/zinc/63/00/09/222630009.db2.gz KOWWZVFOJHJBOP-MRXNPFEDSA-N 0 0 383.488 3.709 40 0 GHABRN Cc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1C ZINC000223416111 222632691 /nfs/dbraw/zinc/63/26/91/222632691.db2.gz KGQQHPLPJCSWIS-QZTJIDSGSA-N 0 0 388.533 3.644 40 0 GHABRN CN(C)c1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000408959692 529774713 /nfs/dbraw/zinc/77/47/13/529774713.db2.gz DHTYOTKACCITIZ-QNGOZBTKSA-N 0 0 386.455 3.636 40 0 GHABRN CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1 ZINC000223578613 222636997 /nfs/dbraw/zinc/63/69/97/222636997.db2.gz MAXBOHAMARGUKO-IBGZPJMESA-N 0 0 382.504 3.544 40 0 GHABRN CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000223888401 222644725 /nfs/dbraw/zinc/64/47/25/222644725.db2.gz CUJSHAGSIYXJEG-OXQOHEQNSA-N 0 0 389.517 3.742 40 0 GHABRN C[C@@H](NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccc(S(C)(=O)=O)cc1 ZINC000223862170 222644854 /nfs/dbraw/zinc/64/48/54/222644854.db2.gz VJKXRDHMBWBMOB-HZPDHXFCSA-N 0 0 397.496 3.888 40 0 GHABRN Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224100633 222651665 /nfs/dbraw/zinc/65/16/65/222651665.db2.gz KCKUVIBLYBGDLG-FQEVSTJZSA-N 0 0 396.531 3.872 40 0 GHABRN Cc1cccc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NCC(C)C)c1 ZINC000224140437 222651827 /nfs/dbraw/zinc/65/18/27/222651827.db2.gz SATXTGZTXKRWRN-HXUWFJFHSA-N 0 0 396.531 3.872 40 0 GHABRN CCN(Cc1ccc(C(=O)NCCC(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000224448744 222656088 /nfs/dbraw/zinc/65/60/88/222656088.db2.gz BEXVTTGALUCVRT-UHFFFAOYSA-N 0 0 388.533 3.673 40 0 GHABRN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C ZINC000224599356 222658431 /nfs/dbraw/zinc/65/84/31/222658431.db2.gz ICWVCKPPZGOCNL-VQTJNVASSA-N 0 0 378.501 3.920 40 0 GHABRN CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1 ZINC000224604674 222659012 /nfs/dbraw/zinc/65/90/12/222659012.db2.gz YLOBRLUFBMHVHR-UHFFFAOYSA-N 0 0 395.908 3.730 40 0 GHABRN CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)CCC ZINC000224611748 222659491 /nfs/dbraw/zinc/65/94/91/222659491.db2.gz MJFNZZJMLPDBMW-JOCHJYFZSA-N 0 0 396.531 3.961 40 0 GHABRN O=C(CCc1ncc(-c2cccc(Br)c2)o1)NCc1ccco1 ZINC000224884086 222664782 /nfs/dbraw/zinc/66/47/82/222664782.db2.gz ICFUHOKZAZODFN-UHFFFAOYSA-N 0 0 375.222 3.946 40 0 GHABRN C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000224888992 222664961 /nfs/dbraw/zinc/66/49/61/222664961.db2.gz OIGPNKYMRUXXME-KRWDZBQOSA-N 0 0 382.479 3.821 40 0 GHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1F ZINC000225247315 222673064 /nfs/dbraw/zinc/67/30/64/222673064.db2.gz IFTKLRHGXPUPSM-JKSUJKDBSA-N 0 0 388.458 3.839 40 0 GHABRN CN(c1ccccc1C(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1 ZINC000409340143 530036777 /nfs/dbraw/zinc/03/67/77/530036777.db2.gz RDBVKSXDJQMHAL-UHFFFAOYSA-N 0 0 386.517 3.964 40 0 GHABRN CCn1c(=O)sc2cc(S(=O)(=O)N(C)Cc3ccc(Cl)cc3)ccc21 ZINC000225698944 222691434 /nfs/dbraw/zinc/69/14/34/222691434.db2.gz XWQASQDSGUBNFX-UHFFFAOYSA-N 0 0 396.921 3.557 40 0 GHABRN CCCCc1ccc(NC(=O)CN(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000225806057 222697299 /nfs/dbraw/zinc/69/72/99/222697299.db2.gz ILFRAPLMOWDXHO-UHFFFAOYSA-N 0 0 392.496 3.569 40 0 GHABRN Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)cc1 ZINC000225921681 222702363 /nfs/dbraw/zinc/70/23/63/222702363.db2.gz RQGXBQNRQPHVTG-GOSISDBHSA-N 0 0 386.517 3.651 40 0 GHABRN Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)Nc3ccc(F)cc3)C2)cn1 ZINC000257238647 222762035 /nfs/dbraw/zinc/76/20/35/222762035.db2.gz HLXMJNMWHLDUHQ-OAHLLOKOSA-N 0 0 395.438 3.984 40 0 GHABRN O=C(c1cccc(=O)[nH]1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 ZINC000257288214 222770112 /nfs/dbraw/zinc/77/01/12/222770112.db2.gz PTJKJFDMWXULSF-OAHLLOKOSA-N 0 0 381.407 3.525 40 0 GHABRN CCCC(=O)N1CCC(Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)CC1 ZINC000257306153 222773170 /nfs/dbraw/zinc/77/31/70/222773170.db2.gz STDOOLHMDWLSSB-UHFFFAOYSA-N 0 0 393.531 3.788 40 0 GHABRN Cc1cccc(C(=O)N2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306124840 222793154 /nfs/dbraw/zinc/79/31/54/222793154.db2.gz CARYHUKGLQCKQU-HXUWFJFHSA-N 0 0 383.455 3.729 40 0 GHABRN Cc1ccc(-n2nccc2-c2nc(C(=O)N[C@@H](C)C(C)C)c3cnccn32)cc1 ZINC000306123857 222793748 /nfs/dbraw/zinc/79/37/48/222793748.db2.gz AYOPYWAXJKXJCS-INIZCTEOSA-N 0 0 388.475 3.665 40 0 GHABRN Cc1occc1C(=O)N1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306144293 222804415 /nfs/dbraw/zinc/80/44/15/222804415.db2.gz ZBSLUMXSWGAGAS-GOSISDBHSA-N 0 0 387.443 3.713 40 0 GHABRN CCCNC(=O)c1cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2oc1=O ZINC000001810896 212257468 /nfs/dbraw/zinc/25/74/68/212257468.db2.gz ORXBZEJQSFPBNC-UHFFFAOYSA-N 0 0 385.803 3.805 40 0 GHABRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000001703575 212254759 /nfs/dbraw/zinc/25/47/59/212254759.db2.gz MRXSHMNNKVMOCU-JCGIZDLHSA-N 0 0 382.526 3.946 40 0 GHABRN Cc1cc(Br)c(NC(=O)c2csnn2)c(Br)c1 ZINC000001709781 212254384 /nfs/dbraw/zinc/25/43/84/212254384.db2.gz KGRYBAHRWJYXJU-UHFFFAOYSA-N 0 0 377.061 3.624 40 0 GHABRN Cc1nc2sc3c(c2c(N2CCN(C(=O)c4ccco4)CC2)n1)CC[C@H](C)C3 ZINC000001377112 212240122 /nfs/dbraw/zinc/24/01/22/212240122.db2.gz HXELDYRZCKHWSK-ZDUSSCGKSA-N 0 0 396.516 3.680 40 0 GHABRN O=C(c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCCC1 ZINC000000980817 212201406 /nfs/dbraw/zinc/20/14/06/212201406.db2.gz OFEHBFIBLVXPJC-JOCHJYFZSA-N 0 0 380.513 3.739 40 0 GHABRN Cc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000000829792 212186778 /nfs/dbraw/zinc/18/67/78/212186778.db2.gz AHZQJULNUKACTJ-UHFFFAOYSA-N 0 0 394.496 3.507 40 0 GHABRN CCN1CCN(c2cc3sc(-n4nc(C)cc4C)nc3cc2Cl)CC1 ZINC000057332267 212131984 /nfs/dbraw/zinc/13/19/84/212131984.db2.gz BVIQJBNNOVPFAC-UHFFFAOYSA-N 0 0 375.929 3.894 40 0 GHABRN CCOC(=O)[C@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2N2CCCCC2)C1 ZINC000045888153 212119171 /nfs/dbraw/zinc/11/91/71/212119171.db2.gz ZLJYPBUTEODSKX-ZDUSSCGKSA-N 0 0 384.398 3.612 40 0 GHABRN CCOC(=O)[C@H]1CC(=O)N(Cc2ccc(-c3nc4ccccc4s3)cc2)C1 ZINC000045886865 212118579 /nfs/dbraw/zinc/11/85/79/212118579.db2.gz HVVACDRQAZSCSM-INIZCTEOSA-N 0 0 380.469 3.875 40 0 GHABRN Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000026919772 212108188 /nfs/dbraw/zinc/10/81/88/212108188.db2.gz JNMDGRILXYOEHS-QGZVFWFLSA-N 0 0 395.330 3.864 40 0 GHABRN Cc1cc(Nc2cc(-c3ccccn3)nc(NCCCO)n2)ccc1C(C)C ZINC000329056788 212094760 /nfs/dbraw/zinc/09/47/60/212094760.db2.gz VUXJIQDAILFXQQ-UHFFFAOYSA-N 0 0 377.492 3.930 40 0 GHABRN Cc1c(F)cccc1Nc1cc(-c2ccncc2)nc(N[C@H](CO)C(C)C)n1 ZINC000329046663 212094463 /nfs/dbraw/zinc/09/44/63/212094463.db2.gz UCYLSYWBNLTKGE-LJQANCHMSA-N 0 0 381.455 3.580 40 0 GHABRN Cc1ccc(C(F)(F)F)cc1Nc1cc(C(F)(F)F)nc(NC2CC2)n1 ZINC000329024925 212094092 /nfs/dbraw/zinc/09/40/92/212094092.db2.gz PDPZRXJGYOPTRR-UHFFFAOYSA-N 0 0 376.304 3.984 40 0 GHABRN Cc1cc(Nc2cc(-c3ccccn3)nc(N[C@H](C)CO)n2)ccc1C(C)C ZINC000329035467 212093612 /nfs/dbraw/zinc/09/36/12/212093612.db2.gz RFBCKYKPNOKDQL-MRXNPFEDSA-N 0 0 377.492 3.929 40 0 GHABRN CC[C@@H](C)Nc1nc(Nc2cc(Cl)ccc2OC)cc(-c2ccccn2)n1 ZINC000329063821 212095160 /nfs/dbraw/zinc/09/51/60/212095160.db2.gz XFJBTOAOJHNWRG-CYBMUJFWSA-N 0 0 383.883 3.998 40 0 GHABRN Fc1cccc(C(F)(F)F)c1Nc1cc(-c2ccncc2)nc(NC2CC2)n1 ZINC000328963493 212091136 /nfs/dbraw/zinc/09/11/36/212091136.db2.gz BPAGUSDBHPKZIC-UHFFFAOYSA-N 0 0 389.356 3.858 40 0 GHABRN CCNc1nc(C2CC2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000328972145 212090954 /nfs/dbraw/zinc/09/09/54/212090954.db2.gz DUBHUISSNLKVKZ-UHFFFAOYSA-N 0 0 378.398 3.669 40 0 GHABRN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)c1cccc(Cl)c1 ZINC000123791072 533054715 /nfs/dbraw/zinc/05/47/15/533054715.db2.gz LLTWRIUYDAPCMJ-UHFFFAOYSA-N 0 0 396.896 3.678 40 0 GHABRN Cc1ccccc1OCc1nnc(S[C@H]2CCc3ccccc3C2=O)n1C ZINC000000933588 220468594 /nfs/dbraw/zinc/46/85/94/220468594.db2.gz PQVXXSFQMFVBGX-SFHVURJKSA-N 0 0 379.485 3.992 40 0 GHABRN CCOc1ccc(NC(=O)CSc2nc(=O)c3c(C)c(C)sc3[nH]2)cc1 ZINC000001368239 220492222 /nfs/dbraw/zinc/49/22/22/220492222.db2.gz GYHFPTXNUOCRSS-UHFFFAOYSA-N 0 0 389.502 3.731 40 0 GHABRN Cc1cc(C)c2c(c1)cc(CN(C(=O)C(F)(F)F)C1CCCC1)c1nnnn12 ZINC000001367222 220491082 /nfs/dbraw/zinc/49/10/82/220491082.db2.gz DDRKMEXUJIDFDY-UHFFFAOYSA-N 0 0 391.397 3.728 40 0 GHABRN COc1ccc(C(=O)NC2CCN(C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000004888448 220784270 /nfs/dbraw/zinc/78/42/70/220784270.db2.gz JEUHBVIHZGMCNR-UHFFFAOYSA-N 0 0 381.476 3.738 40 0 GHABRN Cc1ccc(CC(=O)N2NC(C(F)(F)F)=C[C@]2(O)c2ccc(F)cc2)cc1 ZINC000004893197 220784487 /nfs/dbraw/zinc/78/44/87/220784487.db2.gz YWWZGRYPJFBVFB-SFHVURJKSA-N 0 0 380.341 3.673 40 0 GHABRN CCCNC(=S)N(Cc1cc2cc(C)ccc2n2nnnc12)C1CCCC1 ZINC000004985258 220805273 /nfs/dbraw/zinc/80/52/73/220805273.db2.gz BYGDGCGRQHDUJY-UHFFFAOYSA-N 0 0 382.537 3.615 40 0 GHABRN COC(=O)C[C@H]1c2cc(OC)c3cccc(OC)c3c2CC[C@@]1(C)C(=O)OC ZINC000005732166 220894761 /nfs/dbraw/zinc/89/47/61/220894761.db2.gz RIUTZYSUTYGRHE-KSFYIVLOSA-N 0 0 386.444 3.629 40 0 GHABRN Cc1ccc([C@@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)c2ccccc2)cc1 ZINC000007307150 220993115 /nfs/dbraw/zinc/99/31/15/220993115.db2.gz IUUVSZLLNKRTNB-QFIPXVFZSA-N 0 0 395.480 3.834 40 0 GHABRN COc1ccc(-c2nnc(SCCCOc3ccc(C=O)cc3)n2C)cc1 ZINC000008731729 221052929 /nfs/dbraw/zinc/05/29/29/221052929.db2.gz NOXIDSAMMOPVQM-UHFFFAOYSA-N 0 0 383.473 3.864 40 0 GHABRN Cc1ccc2c(c1)C=C[C@H]1[C@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@@H](C(=O)C(C)(C)C)N21 ZINC000009306135 221077336 /nfs/dbraw/zinc/07/73/36/221077336.db2.gz ZYEVEIBSMXWEQR-RDGPPVDQSA-N 0 0 394.515 3.594 40 0 GHABRN Cc1cccc(N(CC(=O)N(C)c2ccccc2)S(=O)(=O)c2ccccc2)c1 ZINC000010285161 221100246 /nfs/dbraw/zinc/10/02/46/221100246.db2.gz KBTPXESRIYDGQD-UHFFFAOYSA-N 0 0 394.496 3.853 40 0 GHABRN Cc1cnc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2COc2cccc(C(F)(F)F)c2)cn1 ZINC000012085316 221148671 /nfs/dbraw/zinc/14/86/71/221148671.db2.gz KRJLJPUJKHBOMI-JCKWVBRZSA-N 0 0 391.393 3.876 40 0 GHABRN COc1ccc2c(c1)NC1(CCN(C(=O)c3c(C)noc3C)CC1)c1cccn1-2 ZINC000012117297 221151903 /nfs/dbraw/zinc/15/19/03/221151903.db2.gz KLEYFQIHRXRPRL-UHFFFAOYSA-N 0 0 392.459 3.648 40 0 GHABRN Cc1cc(N2CCCC2)ccc1-c1nc2cnccn2c1NC[C@H]1CCCO1 ZINC000012113912 221152005 /nfs/dbraw/zinc/15/20/05/221152005.db2.gz KPYCQVBBKASPRS-GOSISDBHSA-N 0 0 377.492 3.896 40 0 GHABRN COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2cscn2)cc1 ZINC000012145598 221159228 /nfs/dbraw/zinc/15/92/28/221159228.db2.gz UKJKPZQBZPQMCE-MRXNPFEDSA-N 0 0 382.489 3.781 40 0 GHABRN Cc1nc2cc(C(=O)N3[C@@H]4CC[C@H]3CC(O)(c3ccccc3F)C4)ccc2[nH]1 ZINC000012147457 221159638 /nfs/dbraw/zinc/15/96/38/221159638.db2.gz QHLPOWFHMLIKOB-XVQYUUQNSA-N 0 0 379.435 3.665 40 0 GHABRN CC(C)Cc1cc(C(=O)N2CCC([C@@H]3CC(=O)c4ccccc4O3)CC2)no1 ZINC000012154482 221160379 /nfs/dbraw/zinc/16/03/79/221160379.db2.gz NIVXDMJGHALYLQ-NRFANRHFSA-N 0 0 382.460 3.759 40 0 GHABRN COc1ccccc1-c1cc(C(=O)N2CCC(O)(c3cccc(C)c3)CC2)no1 ZINC000012290249 221174958 /nfs/dbraw/zinc/17/49/58/221174958.db2.gz GOOYWYJAYARCSI-UHFFFAOYSA-N 0 0 392.455 3.782 40 0 GHABRN O=C(Cc1ccc(Cl)cc1)N1CCC[C@H](c2noc(-c3ccccn3)n2)C1 ZINC000012291967 221175008 /nfs/dbraw/zinc/17/50/08/221175008.db2.gz VDZIZLXZODOTNC-HNNXBMFYSA-N 0 0 382.851 3.734 40 0 GHABRN COc1ccccc1CN(Cc1coc2ccccc2c1=O)C[C@@H]1CCCO1 ZINC000012187574 221165099 /nfs/dbraw/zinc/16/50/99/221165099.db2.gz OMVCFPYWQHIKKK-IBGZPJMESA-N 0 0 379.456 3.983 40 0 GHABRN CCC[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCCC2)c1ccc2c(c1)OCCO2 ZINC000012205418 221167576 /nfs/dbraw/zinc/16/75/76/221167576.db2.gz TTYIHHWWKBEAKF-GOSISDBHSA-N 0 0 396.487 3.686 40 0 GHABRN CC1(C)Cc2nc(N3CCCC3)ncc2[C@H](NC(=O)Cc2cccc(F)c2)C1 ZINC000012221043 221169311 /nfs/dbraw/zinc/16/93/11/221169311.db2.gz FNDNMWLFHZFZLV-GOSISDBHSA-N 0 0 382.483 3.588 40 0 GHABRN CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3C(=O)[C@@H]3CCCO3)cc2n1 ZINC000012220386 221169699 /nfs/dbraw/zinc/16/96/99/221169699.db2.gz FSOVFEXBQMKOQB-GJZGRUSLSA-N 0 0 396.413 3.714 40 0 GHABRN Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H](c3cc(C(F)F)n4ncnc4n3)C2)cc1 ZINC000012406959 221189338 /nfs/dbraw/zinc/18/93/38/221189338.db2.gz HDVLIIDIBNEQBC-GDBMZVCRSA-N 0 0 399.445 3.880 40 0 GHABRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000012588304 221211199 /nfs/dbraw/zinc/21/11/99/221211199.db2.gz ILNPPEBYSRMAMG-BVKLFWKESA-N 0 0 388.460 3.976 40 0 GHABRN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3ccncc3)cc2n1 ZINC000013225490 221264457 /nfs/dbraw/zinc/26/44/57/221264457.db2.gz WRPGFNXARQXSRG-OAHLLOKOSA-N 0 0 389.381 3.819 40 0 GHABRN O=C(NCCCc1ccc(F)cc1)c1ccccc1I ZINC000013669734 221279514 /nfs/dbraw/zinc/27/95/14/221279514.db2.gz LJWGLYDNXSJDMP-UHFFFAOYSA-N 0 0 383.204 3.793 40 0 GHABRN COCCCNC(=O)c1ccccc1NC(=O)CCSCc1ccccc1 ZINC000013684907 221281180 /nfs/dbraw/zinc/28/11/80/221281180.db2.gz QJCDXAHPASLPPK-UHFFFAOYSA-N 0 0 386.517 3.715 40 0 GHABRN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000013709238 221282729 /nfs/dbraw/zinc/28/27/29/221282729.db2.gz PMOKUNKYNQVPJU-HNNXBMFYSA-N 0 0 398.484 3.642 40 0 GHABRN CC[C@H](C(=O)Nc1cccc(OC)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712004 221282926 /nfs/dbraw/zinc/28/29/26/221282926.db2.gz NYZJTIKTNRNKAI-QGZVFWFLSA-N 0 0 396.896 3.532 40 0 GHABRN Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC000013710849 221282957 /nfs/dbraw/zinc/28/29/57/221282957.db2.gz ITSIMYGRDIXZPL-CLNPQZTCSA-N 0 0 378.516 3.928 40 0 GHABRN CC[C@H](C(=O)Nc1ccccc1C)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013711921 221283194 /nfs/dbraw/zinc/28/31/94/221283194.db2.gz UHDRIVDYGZLKDC-QGZVFWFLSA-N 0 0 380.897 3.832 40 0 GHABRN CC[C@@H](C(=O)NC1CCCCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713883 221283210 /nfs/dbraw/zinc/28/32/10/221283210.db2.gz NHRWDFSBQQNPKG-IBGZPJMESA-N 0 0 380.554 3.769 40 0 GHABRN Cc1cc(C)c(S(=O)(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)c(C)c1 ZINC000013848706 221291665 /nfs/dbraw/zinc/29/16/65/221291665.db2.gz XRFYDQOHBKWYDP-UHFFFAOYSA-N 0 0 386.517 3.578 40 0 GHABRN CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 ZINC000014022827 221297080 /nfs/dbraw/zinc/29/70/80/221297080.db2.gz SRFRBIUWJDUKTK-NQIIRXRSSA-N 0 0 396.487 3.700 40 0 GHABRN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc4ccccc43)ccc21 ZINC000015599796 221337550 /nfs/dbraw/zinc/33/75/50/221337550.db2.gz RUNGACNLSRBEBU-UHFFFAOYSA-N 0 0 380.469 3.804 40 0 GHABRN CC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000015741802 221343064 /nfs/dbraw/zinc/34/30/64/221343064.db2.gz VDFFKLOIDZQNNY-GOSISDBHSA-N 0 0 394.924 3.536 40 0 GHABRN COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c1 ZINC000015976291 221354034 /nfs/dbraw/zinc/35/40/34/221354034.db2.gz ZMLYYJORXUECGQ-LLVKDONJSA-N 0 0 378.222 3.642 40 0 GHABRN COc1cc(C(=O)N2Cc3cc4ccccc4nc3[C@@H]2C)cc(OC)c1OC ZINC000016951399 221373930 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Cc1cc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)on1 ZINC000019119794 221397413 /nfs/dbraw/zinc/39/74/13/221397413.db2.gz IFRLHTKSYLSMCR-NSHDSACASA-N 0 0 394.353 3.866 40 0 GHABRN Cc1cc(-c2cn(C)nc2[C@@H]2CCCCN2C(=O)c2sc(C)nc2C)on1 ZINC000019121354 221397463 /nfs/dbraw/zinc/39/74/63/221397463.db2.gz ACEWLYXZFPBCNI-HNNXBMFYSA-N 0 0 385.493 3.824 40 0 GHABRN Cc1cnc(C(=O)N2CCC(c3nc(C)cc(-c4ccsc4)n3)CC2)cn1 ZINC000019118636 221397759 /nfs/dbraw/zinc/39/77/59/221397759.db2.gz HXNOJXPFWLCZHT-UHFFFAOYSA-N 0 0 379.489 3.632 40 0 GHABRN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccncc3)cc2N1 ZINC000019574816 221429123 /nfs/dbraw/zinc/42/91/23/221429123.db2.gz VQAJUZOAAYSSSD-KCPJHIHWSA-N 0 0 379.386 3.563 40 0 GHABRN CNc1cc(C2CCN(C(=O)C3CCCCC3)CC2)nc(-c2cccnc2)n1 ZINC000019592213 221435503 /nfs/dbraw/zinc/43/55/03/221435503.db2.gz FWHIHSXXEQIOFX-UHFFFAOYSA-N 0 0 379.508 3.867 40 0 GHABRN COc1cccc(-c2ccc(NC(=O)CCc3c(C)nc(N)nc3C)cc2)c1 ZINC000019665532 221439953 /nfs/dbraw/zinc/43/99/53/221439953.db2.gz LWJZKIBLURRNEZ-UHFFFAOYSA-N 0 0 376.460 3.923 40 0 GHABRN COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000019694153 221441042 /nfs/dbraw/zinc/44/10/42/221441042.db2.gz QQXDRASXKQQIRS-UHFFFAOYSA-N 0 0 382.508 3.580 40 0 GHABRN CN(C)C(=O)[C@@]1(Cc2cccc(-c3ccc(F)cc3)c2)CCN(C(=O)C2CC2)C1 ZINC000019579647 221431809 /nfs/dbraw/zinc/43/18/09/221431809.db2.gz RSWTWAHHDQESTB-XMMPIXPASA-N 0 0 394.490 3.752 40 0 GHABRN CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(C)nc3c2c(C)nn3C)cc1 ZINC000019716317 221446318 /nfs/dbraw/zinc/44/63/18/221446318.db2.gz KPGYNTNGNGZBIG-IBGZPJMESA-N 0 0 378.476 3.961 40 0 GHABRN COC(=O)c1c(C)nc2ccn(-c3ccncc3)c(=O)c2c1-c1ccc(C)cc1 ZINC000019973856 221466376 /nfs/dbraw/zinc/46/63/76/221466376.db2.gz LEDVXQUALOZEEE-UHFFFAOYSA-N 0 0 385.423 3.851 40 0 GHABRN C[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1cccc(Br)c1 ZINC000020029761 221468089 /nfs/dbraw/zinc/46/80/89/221468089.db2.gz JGYVKJGBLIIWOK-LBPRGKRZSA-N 0 0 376.250 3.640 40 0 GHABRN O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)NCCC1=CCCCC1 ZINC000020063149 221470683 /nfs/dbraw/zinc/47/06/83/221470683.db2.gz DSJKNEFTWKBOMG-UHFFFAOYSA-N 0 0 396.512 3.869 40 0 GHABRN COc1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc(OC)c2)cc1 ZINC000408615213 533651672 /nfs/dbraw/zinc/65/16/72/533651672.db2.gz NLKLPNNJMKGGPG-UHFFFAOYSA-N 0 0 390.439 3.886 40 0 GHABRN CCCCOc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000057711600 136153933 /nfs/dbraw/zinc/15/39/33/136153933.db2.gz DEVIDSVXCXLEGO-UHFFFAOYSA-N 0 0 385.483 3.765 40 0 GHABRN Cc1cc(OCC(=O)N2CCN(c3ccccc3F)CC2)cc(C)c1Cl ZINC000060807171 136155855 /nfs/dbraw/zinc/15/58/55/136155855.db2.gz VZYASMAPHVLXQW-UHFFFAOYSA-N 0 0 376.859 3.824 40 0 GHABRN Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1CCOCC1 ZINC000226330827 136192761 /nfs/dbraw/zinc/19/27/61/136192761.db2.gz RNAMANNYVBBVLV-UHFFFAOYSA-N 0 0 380.275 3.973 40 0 GHABRN O=C(C1CC1)N1CCN(c2nc(C3CC3)nc3sc4c(c32)CCCC4)CC1 ZINC000001377048 136193305 /nfs/dbraw/zinc/19/33/05/136193305.db2.gz RHOXKQAEZDNNEF-UHFFFAOYSA-N 0 0 382.533 3.506 40 0 GHABRN Cc1ccc(N2CCC(C(=O)N(C)Cc3nc(-c4cccs4)no3)CC2)cc1 ZINC000219866854 136204452 /nfs/dbraw/zinc/20/44/52/136204452.db2.gz WHHQZXGDSZCQHF-UHFFFAOYSA-N 0 0 396.516 3.982 40 0 GHABRN Cc1ccc([C@H](C)NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1C ZINC000222591399 136204933 /nfs/dbraw/zinc/20/49/33/136204933.db2.gz IBXSVSWUDRJYEB-KRWDZBQOSA-N 0 0 386.517 3.724 40 0 GHABRN CCOc1ccc([C@H](O)CC[NH2+][C@H](CC(=O)[O-])Cc2c[nH]c3ccccc23)cc1 ZINC000027517066 221653577 /nfs/dbraw/zinc/65/35/77/221653577.db2.gz PWGVXUZCZYESMS-PGRDOPGGSA-N 0 0 396.487 3.666 40 0 GHABRN COc1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)cc1OC ZINC000028285552 221672639 /nfs/dbraw/zinc/67/26/39/221672639.db2.gz VFGRWHCDFNSZRL-KRWDZBQOSA-N 0 0 386.429 3.892 40 0 GHABRN COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1N1CCCC1=O ZINC000044849871 221955174 /nfs/dbraw/zinc/95/51/74/221955174.db2.gz WDRCKDKALXBJCN-UHFFFAOYSA-N 0 0 394.880 3.585 40 0 GHABRN Cc1ccc(-c2nnc([C@H]3CCN(c4nccc(C(F)(F)F)n4)C3)o2)cc1 ZINC000049171308 221997420 /nfs/dbraw/zinc/99/74/20/221997420.db2.gz NECCYNLEDFADKL-ZDUSSCGKSA-N 0 0 375.354 3.848 40 0 biogenic,in-vitro GHABRN O=C(CCc1ccc(F)cc1)Nc1ccccc1C(=O)NCc1cccnc1 ZINC000061239350 222061891 /nfs/dbraw/zinc/06/18/91/222061891.db2.gz DHJZLCYSVFTAFJ-UHFFFAOYSA-N 0 0 377.419 3.722 40 0 GHABRN COc1ccc(CN2CCOC[C@H]2c2nc(-c3cccc(OC)c3)c[nH]2)cc1 ZINC000072322097 222226374 /nfs/dbraw/zinc/22/63/74/222226374.db2.gz IOBKSNOKPLRMDP-NRFANRHFSA-N 0 0 379.460 3.667 40 0 biogenic,in-vitro GHABRN C[C@H]1C[C@H]1C(=O)N1CCC(Cc2ccccc2-c2cccs2)(C(N)=O)CC1 ZINC000072345083 222232911 /nfs/dbraw/zinc/23/29/11/222232911.db2.gz MPDPUJKPAJEHHT-MAUKXSAKSA-N 0 0 382.529 3.708 40 0 GHABRN CNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C2CC2)CC1 ZINC000072345112 222233048 /nfs/dbraw/zinc/23/30/48/222233048.db2.gz UZMTTXWTQUBXRF-UHFFFAOYSA-N 0 0 394.490 3.800 40 0 GHABRN O=C(NC1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)c1ccncc1 ZINC000072346372 222233681 /nfs/dbraw/zinc/23/36/81/222233681.db2.gz ISIWPSZKHQIXLE-UHFFFAOYSA-N 0 0 382.464 3.743 40 0 GHABRN COc1ccc(Cc2cccc(C3CCN(C(=O)c4c[nH]nc4C)CC3)n2)cc1 ZINC000072349759 222236245 /nfs/dbraw/zinc/23/62/45/222236245.db2.gz PAYULDYRXVMNAN-UHFFFAOYSA-N 0 0 390.487 3.732 40 0 GHABRN COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)c2ccc(F)cc2)cc1 ZINC000072354626 222238377 /nfs/dbraw/zinc/23/83/77/222238377.db2.gz USRWKDDJSUAICO-IBGZPJMESA-N 0 0 392.434 3.851 40 0 GHABRN COc1ccccc1Oc1nccnc1C1CCN(C(=O)c2cccnc2)CC1 ZINC000072362082 222240467 /nfs/dbraw/zinc/24/04/67/222240467.db2.gz ZRBKXYRBAYASOW-UHFFFAOYSA-N 0 0 390.443 3.692 40 0 GHABRN O=C(C1CCOCC1)N1CCC[C@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000072362895 222240816 /nfs/dbraw/zinc/24/08/16/222240816.db2.gz VWMQYHLRRPEWRT-INIZCTEOSA-N 0 0 385.439 3.541 40 0 GHABRN Cc1n[nH]cc1C(=O)N1CCC(c2nc(C)cc(Oc3ccccc3)n2)CC1 ZINC000072362544 222241026 /nfs/dbraw/zinc/24/10/26/222241026.db2.gz GYZYHANNDGNCCP-UHFFFAOYSA-N 0 0 377.448 3.629 40 0 GHABRN O=C(C1CCOCC1)N1CCC(c2nccnc2Oc2ccc(F)cc2)CC1 ZINC000072362892 222241231 /nfs/dbraw/zinc/24/12/31/222241231.db2.gz GMLGQMJHDGWDAH-UHFFFAOYSA-N 0 0 385.439 3.541 40 0 GHABRN COc1ccccc1Oc1cncc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 ZINC000072362121 222241316 /nfs/dbraw/zinc/24/13/16/222241316.db2.gz FZENWYHGGMWPKY-KRWDZBQOSA-N 0 0 390.443 3.692 40 0 GHABRN O=C(c1cscn1)N1CCC[C@H](c2nccnc2Oc2cccc(F)c2)C1 ZINC000072362638 222241406 /nfs/dbraw/zinc/24/14/06/222241406.db2.gz WDVSVAWSVSNPCO-ZDUSSCGKSA-N 0 0 384.436 3.884 40 0 GHABRN Cc1cc(Nc2cc([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)nc(C)n2)n[nH]1 ZINC000072360837 222241579 /nfs/dbraw/zinc/24/15/79/222241579.db2.gz BOIPAUXHJBTTNN-MRXNPFEDSA-N 0 0 394.454 3.719 40 0 GHABRN Cc1ncsc1C(=O)N1CCC[C@@H]1c1cccc(Nc2nc(C)cc(C)n2)n1 ZINC000072375370 222243181 /nfs/dbraw/zinc/24/31/81/222243181.db2.gz UYTFJXZSAUPZED-MRXNPFEDSA-N 0 0 394.504 3.974 40 0 GHABRN Cc1nccn1-c1cccc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000072378921 222244097 /nfs/dbraw/zinc/24/40/97/222244097.db2.gz JLRVJVISYZGCKD-SFHVURJKSA-N 0 0 378.451 3.664 40 0 GHABRN Nc1ncc(-c2ccccc2F)c([C@H]2CCCCN2C(=O)c2cccnc2)n1 ZINC000072376944 222245492 /nfs/dbraw/zinc/24/54/92/222245492.db2.gz UFYKBQPPGRMDOX-GOSISDBHSA-N 0 0 377.423 3.627 40 0 GHABRN Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCCN2C(=O)c2cc[nH]n2)n1 ZINC000072384016 222246833 /nfs/dbraw/zinc/24/68/33/222246833.db2.gz BQCPVYJDCZWQTI-INIZCTEOSA-N 0 0 381.411 3.807 40 0 GHABRN Cc1cc(Oc2ccccc2F)nc([C@H]2CCCCN2C(=O)c2nccn2C)n1 ZINC000072384418 222247158 /nfs/dbraw/zinc/24/71/58/222247158.db2.gz SJSFWHSYEDTRCA-MRXNPFEDSA-N 0 0 395.438 3.817 40 0 GHABRN Cc1cc(Oc2ccccc2)nc([C@@H]2CCCCN2C(=O)c2cnn(C)c2)n1 ZINC000072384298 222247430 /nfs/dbraw/zinc/24/74/30/222247430.db2.gz QOIORCVVDHAJIO-SFHVURJKSA-N 0 0 377.448 3.678 40 0 GHABRN CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(C(=O)CC(C)C)C1 ZINC000072395967 222252065 /nfs/dbraw/zinc/25/20/65/222252065.db2.gz UGDRQFJOUPBAGY-HSZRJFAPSA-N 0 0 397.519 3.675 40 0 GHABRN CC(C)[C@H](CO)Nc1nc2c(ncn2C(C)C)c(Sc2cccc(N)c2)n1 ZINC000083433889 222312187 /nfs/dbraw/zinc/31/21/87/222312187.db2.gz NLQYQPZBKDUXKS-HNNXBMFYSA-N 0 0 386.525 3.569 40 0 in-vitro GHABRN CC(C)n1cnc2c1[C@H](C(=O)Nc1cccnc1)N(Cc1ccccc1)CC2 ZINC000096037490 222373323 /nfs/dbraw/zinc/37/33/23/222373323.db2.gz KGDLGXKUTSHDRJ-OAQYLSRUSA-N 0 0 375.476 3.597 40 0 GHABRN Cc1ccc(-c2cnc3n2CCN(C)C32CCN(C(=O)c3ccco3)CC2)cc1 ZINC000096037088 222373712 /nfs/dbraw/zinc/37/37/12/222373712.db2.gz FWBGEMJJCNJSFH-UHFFFAOYSA-N 0 0 390.487 3.528 40 0 GHABRN COCCCNC(=O)c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn32)n1 ZINC000096038126 222375114 /nfs/dbraw/zinc/37/51/14/222375114.db2.gz WSZWSPCRHDROPT-UHFFFAOYSA-N 0 0 392.434 3.697 40 0 GHABRN F[C@@H]1CN(Cc2ccc3ccccc3n2)C[C@@H]1OCc1nc2ccccc2[nH]1 ZINC000096112181 222381387 /nfs/dbraw/zinc/38/13/87/222381387.db2.gz AWUQMQKSMBKQPQ-UTKZUKDTSA-N 0 0 376.435 3.850 40 0 biogenic,in-vitro GHABRN CCc1noc(C)c1C(=O)NC[C@H]1CC[C@H](c2nnc(-c3cccnc3)o2)CC1 ZINC000100155862 222457389 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3.936 40 0 GHABRN COc1ccc(NC(=O)[C@@H](C)N2c3cccc4cccc(c34)C2=O)cc1OC ZINC000409411316 534145462 /nfs/dbraw/zinc/14/54/62/534145462.db2.gz FWLRXZYTIRIMHO-CYBMUJFWSA-N 0 0 376.412 3.844 40 0 GHABRN COC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224708980 517989773 /nfs/dbraw/zinc/98/97/73/517989773.db2.gz WHQDEFDAJSPKCY-UHFFFAOYSA-N 0 0 388.272 3.670 40 0 GHABRN O=C(Nc1ccccc1Cl)[C@H]1CSCN1C(=O)OCc1ccccc1 ZINC000408736915 534392108 /nfs/dbraw/zinc/39/21/08/534392108.db2.gz JRASWKQZPHEEDV-MRXNPFEDSA-N 0 0 376.865 3.990 40 0 GHABRN O=C(Nc1cccnc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 ZINC000409412642 534411273 /nfs/dbraw/zinc/41/12/73/534411273.db2.gz YXVUWRDXAXIBSA-FQEVSTJZSA-N 0 0 379.441 3.701 40 0 GHABRN Cc1cccc(C(=O)NCc2nnc(SCc3ccccc3Cl)n2C)c1 ZINC000409345952 534610390 /nfs/dbraw/zinc/61/03/90/534610390.db2.gz LWJUAJCHEMYPAX-UHFFFAOYSA-N 0 0 386.908 3.999 40 0 GHABRN COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(OC)c2)cc1OC ZINC000020143239 523747688 /nfs/dbraw/zinc/74/76/88/523747688.db2.gz 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40 0 GHABRN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1 ZINC000044845473 528205941 /nfs/dbraw/zinc/20/59/41/528205941.db2.gz GPEVKRMHMJNAJC-OAHLLOKOSA-N 0 0 390.505 3.612 40 0 GHABRN CCNS(=O)(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1OCC ZINC000408700480 528375245 /nfs/dbraw/zinc/37/52/45/528375245.db2.gz GQLCYFLNRSHWQN-UHFFFAOYSA-N 0 0 390.505 3.561 40 0 GHABRN CCCOc1ccc(N2C[C@H](C(=O)NCc3ccc(Cl)cc3)CC2=O)cc1 ZINC000408707964 528696510 /nfs/dbraw/zinc/69/65/10/528696510.db2.gz MWMSSLCKHJISKN-MRXNPFEDSA-N 0 0 386.879 3.798 40 0 GHABRN CCOC(=O)COc1c(Cl)cc(/C=C2\SC(=O)N(C)C2=O)cc1Cl ZINC000408816542 528842058 /nfs/dbraw/zinc/84/20/58/528842058.db2.gz UCFFDECDZUUCFQ-WDZFZDKYSA-N 0 0 390.244 3.601 40 0 GHABRN CCCCc1ccc(NC(=O)CN(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 ZINC000408604733 529024597 /nfs/dbraw/zinc/02/45/97/529024597.db2.gz FOZFYUYMNRPGEH-UHFFFAOYSA-N 0 0 392.496 3.569 40 0 GHABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1 ZINC000225381567 529163819 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3.621 40 0 GHABRN CCCn1ncc2ccc([C@H]3CCCN(CC(=O)Nc4ccc(F)cc4)C3)nc21 ZINC000019742134 570212840 /nfs/dbraw/zinc/21/28/40/570212840.db2.gz ACYQEOZBQAYOTB-KRWDZBQOSA-N 0 0 395.482 3.799 40 0 GHABRN Cc1nc([C@@H]2CCCCN2Cc2ccc3[nH]ccc3c2)ncc1C(=O)N(C)C ZINC000019753694 570215948 /nfs/dbraw/zinc/21/59/48/570215948.db2.gz NGNZSYYWURGSSU-FQEVSTJZSA-N 0 0 377.492 3.695 40 0 GHABRN CCOc1ccc(NC(=O)c2nnc3c(-c4ccc(F)cc4)cnn3c2C)cc1 ZINC000019817133 570221558 /nfs/dbraw/zinc/22/15/58/570221558.db2.gz IIICLWGWPOLWIG-UHFFFAOYSA-N 0 0 391.406 3.890 40 0 GHABRN CN(C)C(=O)C[C@@H]1CC2(CCN(C(=O)c3ccc(F)cc3)CC2)c2ccccc21 ZINC000096242021 570222764 /nfs/dbraw/zinc/22/27/64/570222764.db2.gz RQLOLTBURPASAX-GOSISDBHSA-N 0 0 394.490 3.965 40 0 GHABRN O=C(C[C@H]1CC2(CCN(C(=O)CC3CC3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096243156 570223078 /nfs/dbraw/zinc/22/30/78/570223078.db2.gz LVVDOEZSHDHPFT-SFHVURJKSA-N 0 0 396.531 3.773 40 0 GHABRN Cc1cc(C)cc(CN2CCc3nc(-c4cnn(C)c4)nc(NC4CC4)c3C2)c1 ZINC000096254203 570225107 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CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2)c(N)c1 ZINC000020154156 570245087 /nfs/dbraw/zinc/24/50/87/570245087.db2.gz VTZZSLLKZNDAGR-UHFFFAOYSA-N 0 0 389.883 3.555 40 0 GHABRN Cc1nc(Nc2ccccn2)cc([C@H]2CCCN2C(=O)/C=C/c2cccnc2)n1 ZINC000585293505 570262537 /nfs/dbraw/zinc/26/25/37/570262537.db2.gz YHTZLHWZWFSTMI-JBVUFVISSA-N 0 0 386.459 3.696 40 0 GHABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000020489949 570262685 /nfs/dbraw/zinc/26/26/85/570262685.db2.gz LUHNJKCOPGQOMP-GOSISDBHSA-N 0 0 393.505 3.778 40 0 GHABRN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1Cl ZINC000020488465 570262756 /nfs/dbraw/zinc/26/27/56/570262756.db2.gz MXRNGPPBRWFFBI-UHFFFAOYSA-N 0 0 383.853 3.635 40 0 GHABRN O=C(/C=C/c1ccco1)N1CCC[C@@H](Cc2cc(Nc3ccccn3)ncn2)C1 ZINC000585292874 570262974 /nfs/dbraw/zinc/26/29/74/570262974.db2.gz TVSNAIZSRYGJSH-IJDCCNJMSA-N 0 0 389.459 3.703 40 0 GHABRN COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1N1CCCC1=O ZINC000020492083 570263002 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